USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 909 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 LYS NZ :NH3+ 151:sc=-0.00141 (180deg=0) USER MOD Set 1.2: A 49 GLN : amide:sc= -0.31 X(o=-2.4,f=-1.9) USER MOD Set 1.3: A 64 ASN : amide:sc= -2.06! C(o=-2.4!,f=-6.8!) USER MOD Set 2.1: A 33 LYS NZ :NH3+ 145:sc= 0.281 (180deg=0.00618) USER MOD Set 2.2: A 102 MET CE :methyl -158:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot -156:sc= 0.138 USER MOD Single : A 17 SER OG : rot 41:sc= 0.446 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -109:sc= 0 (180deg=-0.964) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 179:sc= -1.2 (180deg=-1.22) USER MOD Single : A 28 ASN : amide:sc= -0.278 X(o=-0.28,f=-0.3) USER MOD Single : A 31 LYS NZ :NH3+ -137:sc= 0.0102 (180deg=-0.156) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HE2:sc= -0.641 K(o=-0.64,f=-1.3) USER MOD Single : A 43 THR OG1 : rot -57:sc= 0.0527 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 110:sc= -0.241 USER MOD Single : A 60 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.25) USER MOD Single : A 70 ASN : amide:sc= -0.258 X(o=-0.26,f=-0.08) USER MOD Single : A 71 MET CE :methyl -154:sc= -0.147 (180deg=-0.623) USER MOD Single : A 73 CYS SG : rot 24:sc= 0.182 USER MOD Single : A 74 THR OG1 : rot -160:sc= -0.936 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00672) USER MOD Single : A 79 ASN : amide:sc= -0.137 K(o=-0.14,f=-4.6!) USER MOD Single : A 80 ASN : amide:sc= -1.08 K(o=-1.1,f=-4.4!) USER MOD Single : A 85 CYS SG : rot 17:sc=0.000462 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 97 THR OG1 : rot 180:sc=-0.00627 USER MOD Single : A 98 MET CE :methyl 141:sc= -0.372 (180deg=-1.42!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 28:sc= -0.735 USER MOD Single : A 109 SER OG : rot 74:sc= 0.776 USER MOD Single : A 116 HIS : no HE2:sc= -2.53! C(o=-2.5!,f=-7.2!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 150:sc= -0.0166 (180deg=-1.28!) USER MOD Single : A 123 LYS NZ :NH3+ -99:sc= -5.66! (180deg=-7.15!) USER MOD ----------------------------------------------------------------- ATOM 96 N ALA A 14 -0.851 5.975 -12.025 1.00 0.00 N ATOM 97 CA ALA A 14 -0.401 6.355 -10.692 1.00 0.00 C ATOM 98 C ALA A 14 0.402 7.651 -10.732 1.00 0.00 C ATOM 99 O ALA A 14 1.234 7.850 -11.618 1.00 0.00 O ATOM 100 CB ALA A 14 0.428 5.237 -10.076 1.00 0.00 C ATOM 0 HA ALA A 14 -1.282 6.523 -10.072 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.758 5.535 -9.081 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.177 4.333 -10.003 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.298 5.041 -10.703 1.00 0.00 H new ATOM 106 N PHE A 15 0.148 8.529 -9.768 1.00 0.00 N ATOM 107 CA PHE A 15 0.847 9.807 -9.695 1.00 0.00 C ATOM 108 C PHE A 15 2.061 9.712 -8.776 1.00 0.00 C ATOM 109 O PHE A 15 3.155 10.153 -9.127 1.00 0.00 O ATOM 110 CB PHE A 15 -0.099 10.902 -9.197 1.00 0.00 C ATOM 111 CG PHE A 15 -0.649 10.640 -7.824 1.00 0.00 C ATOM 112 CD1 PHE A 15 -1.792 9.875 -7.655 1.00 0.00 C ATOM 113 CD2 PHE A 15 -0.022 11.158 -6.702 1.00 0.00 C ATOM 114 CE1 PHE A 15 -2.300 9.633 -6.392 1.00 0.00 C ATOM 115 CE2 PHE A 15 -0.525 10.919 -5.437 1.00 0.00 C ATOM 116 CZ PHE A 15 -1.665 10.155 -5.282 1.00 0.00 C ATOM 0 H PHE A 15 -0.536 8.379 -9.027 1.00 0.00 H new ATOM 0 HA PHE A 15 1.191 10.062 -10.697 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.431 11.854 -9.192 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.927 11.002 -9.898 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.292 9.463 -8.519 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.870 11.756 -6.817 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.192 9.036 -6.274 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.027 11.329 -4.571 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.059 9.966 -4.294 1.00 0.00 H new ATOM 126 N TYR A 16 1.859 9.133 -7.597 1.00 0.00 N ATOM 127 CA TYR A 16 2.935 8.982 -6.626 1.00 0.00 C ATOM 128 C TYR A 16 3.719 7.697 -6.877 1.00 0.00 C ATOM 129 O TYR A 16 3.159 6.601 -6.858 1.00 0.00 O ATOM 130 CB TYR A 16 2.371 8.978 -5.204 1.00 0.00 C ATOM 131 CG TYR A 16 3.391 9.336 -4.147 1.00 0.00 C ATOM 132 CD1 TYR A 16 3.635 10.661 -3.809 1.00 0.00 C ATOM 133 CD2 TYR A 16 4.110 8.348 -3.485 1.00 0.00 C ATOM 134 CE1 TYR A 16 4.566 10.993 -2.844 1.00 0.00 C ATOM 135 CE2 TYR A 16 5.042 8.670 -2.518 1.00 0.00 C ATOM 136 CZ TYR A 16 5.267 9.994 -2.201 1.00 0.00 C ATOM 137 OH TYR A 16 6.195 10.320 -1.238 1.00 0.00 O ATOM 0 H TYR A 16 0.960 8.761 -7.291 1.00 0.00 H new ATOM 0 HA TYR A 16 3.613 9.828 -6.739 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.541 9.682 -5.149 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.965 7.990 -4.986 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.087 11.446 -4.310 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.937 7.311 -3.731 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.744 12.029 -2.594 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.592 7.890 -2.013 1.00 0.00 H new ATOM 0 HH TYR A 16 6.854 9.599 -1.161 1.00 0.00 H new ATOM 147 N SER A 17 5.020 7.841 -7.111 1.00 0.00 N ATOM 148 CA SER A 17 5.882 6.694 -7.369 1.00 0.00 C ATOM 149 C SER A 17 7.246 6.880 -6.711 1.00 0.00 C ATOM 150 O SER A 17 7.999 7.788 -7.063 1.00 0.00 O ATOM 151 CB SER A 17 6.054 6.487 -8.875 1.00 0.00 C ATOM 152 OG SER A 17 6.593 7.643 -9.491 1.00 0.00 O ATOM 0 H SER A 17 5.500 8.741 -7.127 1.00 0.00 H new ATOM 0 HA SER A 17 5.408 5.811 -6.940 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.710 5.636 -9.055 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.090 6.248 -9.325 1.00 0.00 H new ATOM 0 HG SER A 17 7.292 8.023 -8.918 1.00 0.00 H new ATOM 158 N LYS A 18 7.556 6.014 -5.753 1.00 0.00 N ATOM 159 CA LYS A 18 8.829 6.080 -5.044 1.00 0.00 C ATOM 160 C LYS A 18 9.236 4.703 -4.527 1.00 0.00 C ATOM 161 O LYS A 18 8.449 4.016 -3.875 1.00 0.00 O ATOM 162 CB LYS A 18 8.737 7.067 -3.879 1.00 0.00 C ATOM 163 CG LYS A 18 9.871 6.934 -2.877 1.00 0.00 C ATOM 164 CD LYS A 18 11.188 7.422 -3.458 1.00 0.00 C ATOM 165 CE LYS A 18 11.300 8.937 -3.388 1.00 0.00 C ATOM 166 NZ LYS A 18 12.593 9.424 -3.944 1.00 0.00 N ATOM 0 H LYS A 18 6.943 5.257 -5.449 1.00 0.00 H new ATOM 0 HA LYS A 18 9.589 6.425 -5.745 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.730 8.083 -4.274 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.788 6.919 -3.363 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.634 7.506 -1.980 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.970 5.892 -2.574 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.017 6.969 -2.914 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.272 7.097 -4.495 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.475 9.388 -3.939 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.206 9.261 -2.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.631 10.461 -3.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.380 9.014 -3.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.672 9.137 -4.941 1.00 0.00 H new ATOM 180 N LYS A 19 10.469 4.307 -4.821 1.00 0.00 N ATOM 181 CA LYS A 19 10.982 3.014 -4.383 1.00 0.00 C ATOM 182 C LYS A 19 11.006 2.925 -2.861 1.00 0.00 C ATOM 183 O LYS A 19 11.301 3.905 -2.177 1.00 0.00 O ATOM 184 CB LYS A 19 12.390 2.786 -4.940 1.00 0.00 C ATOM 185 CG LYS A 19 13.486 3.421 -4.102 1.00 0.00 C ATOM 186 CD LYS A 19 13.565 4.921 -4.331 1.00 0.00 C ATOM 187 CE LYS A 19 14.199 5.247 -5.674 1.00 0.00 C ATOM 188 NZ LYS A 19 15.686 5.195 -5.613 1.00 0.00 N ATOM 0 H LYS A 19 11.132 4.863 -5.361 1.00 0.00 H new ATOM 0 HA LYS A 19 10.317 2.239 -4.764 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.574 1.714 -5.012 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.440 3.186 -5.953 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.299 3.223 -3.047 1.00 0.00 H new ATOM 0 HG3 LYS A 19 14.444 2.964 -4.348 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.564 5.350 -4.286 1.00 0.00 H new ATOM 0 HD3 LYS A 19 14.146 5.382 -3.532 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.842 4.542 -6.425 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.883 6.240 -5.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 16.080 5.423 -6.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 16.029 5.885 -4.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.989 4.240 -5.333 1.00 0.00 H new ATOM 202 N CYS A 20 10.695 1.744 -2.337 1.00 0.00 N ATOM 203 CA CYS A 20 10.681 1.527 -0.895 1.00 0.00 C ATOM 204 C CYS A 20 10.670 0.037 -0.570 1.00 0.00 C ATOM 205 O CYS A 20 10.630 -0.805 -1.466 1.00 0.00 O ATOM 206 CB CYS A 20 9.463 2.207 -0.268 1.00 0.00 C ATOM 207 SG CYS A 20 7.887 1.417 -0.670 1.00 0.00 S ATOM 0 H CYS A 20 10.449 0.923 -2.889 1.00 0.00 H new ATOM 0 HA CYS A 20 11.588 1.965 -0.477 1.00 0.00 H new ATOM 0 HB2 CYS A 20 9.585 2.219 0.815 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.431 3.246 -0.597 1.00 0.00 H new ATOM 0 HG CYS A 20 6.918 2.063 -0.092 1.00 0.00 H new ATOM 213 N LYS A 21 10.708 -0.282 0.720 1.00 0.00 N ATOM 214 CA LYS A 21 10.703 -1.670 1.166 1.00 0.00 C ATOM 215 C LYS A 21 9.405 -2.002 1.895 1.00 0.00 C ATOM 216 O LYS A 21 8.699 -1.109 2.365 1.00 0.00 O ATOM 217 CB LYS A 21 11.899 -1.937 2.083 1.00 0.00 C ATOM 218 CG LYS A 21 13.138 -2.411 1.343 1.00 0.00 C ATOM 219 CD LYS A 21 14.410 -1.966 2.045 1.00 0.00 C ATOM 220 CE LYS A 21 14.886 -0.615 1.533 1.00 0.00 C ATOM 221 NZ LYS A 21 15.628 0.144 2.578 1.00 0.00 N ATOM 0 H LYS A 21 10.743 0.403 1.475 1.00 0.00 H new ATOM 0 HA LYS A 21 10.778 -2.309 0.286 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.139 -1.024 2.629 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.619 -2.687 2.823 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.124 -3.498 1.267 1.00 0.00 H new ATOM 0 HG3 LYS A 21 13.127 -2.020 0.325 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.233 -1.907 3.119 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.191 -2.710 1.891 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.529 -0.762 0.665 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.029 -0.030 1.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.051 0.948 2.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.829 -0.481 3.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.523 0.496 2.182 1.00 0.00 H new ATOM 235 N LEU A 22 9.098 -3.291 1.988 1.00 0.00 N ATOM 236 CA LEU A 22 7.885 -3.742 2.663 1.00 0.00 C ATOM 237 C LEU A 22 8.224 -4.618 3.864 1.00 0.00 C ATOM 238 O LEU A 22 9.143 -5.436 3.811 1.00 0.00 O ATOM 239 CB LEU A 22 6.994 -4.515 1.689 1.00 0.00 C ATOM 240 CG LEU A 22 5.978 -3.684 0.905 1.00 0.00 C ATOM 241 CD1 LEU A 22 5.246 -4.552 -0.107 1.00 0.00 C ATOM 242 CD2 LEU A 22 4.990 -3.017 1.851 1.00 0.00 C ATOM 0 H LEU A 22 9.672 -4.042 1.605 1.00 0.00 H new ATOM 0 HA LEU A 22 7.348 -2.863 3.018 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.634 -5.036 0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.454 -5.278 2.249 1.00 0.00 H new ATOM 0 HG LEU A 22 6.515 -2.905 0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.527 -3.944 -0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.965 -4.982 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.721 -5.353 0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.275 -2.430 1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.459 -3.780 2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.528 -2.362 2.537 1.00 0.00 H new ATOM 254 N PHE A 23 7.475 -4.443 4.948 1.00 0.00 N ATOM 255 CA PHE A 23 7.695 -5.218 6.163 1.00 0.00 C ATOM 256 C PHE A 23 6.388 -5.420 6.924 1.00 0.00 C ATOM 257 O PHE A 23 5.517 -4.549 6.926 1.00 0.00 O ATOM 258 CB PHE A 23 8.718 -4.519 7.061 1.00 0.00 C ATOM 259 CG PHE A 23 10.001 -4.180 6.358 1.00 0.00 C ATOM 260 CD1 PHE A 23 11.025 -5.109 6.269 1.00 0.00 C ATOM 261 CD2 PHE A 23 10.183 -2.932 5.784 1.00 0.00 C ATOM 262 CE1 PHE A 23 12.206 -4.801 5.622 1.00 0.00 C ATOM 263 CE2 PHE A 23 11.362 -2.617 5.136 1.00 0.00 C ATOM 264 CZ PHE A 23 12.375 -3.553 5.055 1.00 0.00 C ATOM 0 H PHE A 23 6.710 -3.771 5.009 1.00 0.00 H new ATOM 0 HA PHE A 23 8.082 -6.195 5.875 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.277 -3.604 7.456 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.939 -5.161 7.914 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.898 -6.086 6.711 1.00 0.00 H new ATOM 0 HD2 PHE A 23 9.394 -2.197 5.844 1.00 0.00 H new ATOM 0 HE1 PHE A 23 12.996 -5.535 5.560 1.00 0.00 H new ATOM 0 HE2 PHE A 23 11.492 -1.640 4.693 1.00 0.00 H new ATOM 0 HZ PHE A 23 13.298 -3.309 4.549 1.00 0.00 H new ATOM 274 N TYR A 24 6.257 -6.575 7.567 1.00 0.00 N ATOM 275 CA TYR A 24 5.055 -6.893 8.329 1.00 0.00 C ATOM 276 C TYR A 24 5.411 -7.363 9.736 1.00 0.00 C ATOM 277 O TYR A 24 6.493 -7.902 9.969 1.00 0.00 O ATOM 278 CB TYR A 24 4.241 -7.970 7.610 1.00 0.00 C ATOM 279 CG TYR A 24 5.051 -9.187 7.227 1.00 0.00 C ATOM 280 CD1 TYR A 24 5.636 -9.991 8.198 1.00 0.00 C ATOM 281 CD2 TYR A 24 5.234 -9.534 5.894 1.00 0.00 C ATOM 282 CE1 TYR A 24 6.378 -11.104 7.852 1.00 0.00 C ATOM 283 CE2 TYR A 24 5.973 -10.645 5.539 1.00 0.00 C ATOM 284 CZ TYR A 24 6.543 -11.427 6.522 1.00 0.00 C ATOM 285 OH TYR A 24 7.282 -12.534 6.173 1.00 0.00 O ATOM 0 H TYR A 24 6.968 -7.306 7.576 1.00 0.00 H new ATOM 0 HA TYR A 24 4.455 -5.986 8.409 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.417 -8.280 8.253 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.800 -7.540 6.711 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.508 -9.742 9.241 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.790 -8.924 5.122 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.826 -11.718 8.619 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.104 -10.900 4.498 1.00 0.00 H new ATOM 0 HH TYR A 24 7.300 -12.621 5.197 1.00 0.00 H new ATOM 295 N LYS A 25 4.491 -7.156 10.672 1.00 0.00 N ATOM 296 CA LYS A 25 4.704 -7.559 12.057 1.00 0.00 C ATOM 297 C LYS A 25 4.326 -9.023 12.262 1.00 0.00 C ATOM 298 O LYS A 25 3.147 -9.376 12.271 1.00 0.00 O ATOM 299 CB LYS A 25 3.885 -6.674 12.999 1.00 0.00 C ATOM 300 CG LYS A 25 4.391 -6.679 14.432 1.00 0.00 C ATOM 301 CD LYS A 25 4.005 -5.404 15.163 1.00 0.00 C ATOM 302 CE LYS A 25 3.869 -5.640 16.660 1.00 0.00 C ATOM 303 NZ LYS A 25 3.434 -4.410 17.378 1.00 0.00 N ATOM 0 H LYS A 25 3.590 -6.711 10.496 1.00 0.00 H new ATOM 0 HA LYS A 25 5.763 -7.440 12.285 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.894 -5.651 12.623 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.848 -7.008 12.988 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.982 -7.540 14.960 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.476 -6.788 14.436 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.758 -4.637 14.981 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.063 -5.026 14.766 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.148 -6.438 16.838 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.824 -5.977 17.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.353 -4.612 18.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.134 -3.655 17.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.511 -4.102 17.012 1.00 0.00 H new ATOM 317 N LYS A 26 5.335 -9.872 12.426 1.00 0.00 N ATOM 318 CA LYS A 26 5.110 -11.298 12.634 1.00 0.00 C ATOM 319 C LYS A 26 6.105 -11.864 13.642 1.00 0.00 C ATOM 320 O LYS A 26 7.292 -11.541 13.606 1.00 0.00 O ATOM 321 CB LYS A 26 5.227 -12.052 11.307 1.00 0.00 C ATOM 322 CG LYS A 26 3.972 -11.979 10.454 1.00 0.00 C ATOM 323 CD LYS A 26 4.022 -12.970 9.303 1.00 0.00 C ATOM 324 CE LYS A 26 2.712 -12.994 8.531 1.00 0.00 C ATOM 325 NZ LYS A 26 2.495 -11.735 7.767 1.00 0.00 N ATOM 0 H LYS A 26 6.317 -9.597 12.419 1.00 0.00 H new ATOM 0 HA LYS A 26 4.103 -11.428 13.031 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.065 -11.646 10.741 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.457 -13.098 11.512 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.098 -12.182 11.073 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.856 -10.969 10.061 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.838 -12.706 8.630 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.237 -13.967 9.689 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.711 -13.840 7.844 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.885 -13.145 9.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.600 -11.798 7.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.454 -10.932 8.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.280 -11.595 7.099 1.00 0.00 H new ATOM 339 N ASP A 27 5.613 -12.712 14.539 1.00 0.00 N ATOM 340 CA ASP A 27 6.460 -13.326 15.555 1.00 0.00 C ATOM 341 C ASP A 27 7.198 -12.262 16.362 1.00 0.00 C ATOM 342 O ASP A 27 8.350 -12.453 16.751 1.00 0.00 O ATOM 343 CB ASP A 27 7.464 -14.279 14.906 1.00 0.00 C ATOM 344 CG ASP A 27 6.810 -15.217 13.909 1.00 0.00 C ATOM 345 OD1 ASP A 27 6.314 -16.281 14.333 1.00 0.00 O ATOM 346 OD2 ASP A 27 6.796 -14.886 12.705 1.00 0.00 O ATOM 0 H ASP A 27 4.633 -12.990 14.583 1.00 0.00 H new ATOM 0 HA ASP A 27 5.820 -13.892 16.232 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.237 -13.699 14.402 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.958 -14.864 15.681 1.00 0.00 H new ATOM 351 N ASN A 28 6.527 -11.142 16.610 1.00 0.00 N ATOM 352 CA ASN A 28 7.120 -10.047 17.369 1.00 0.00 C ATOM 353 C ASN A 28 8.416 -9.574 16.718 1.00 0.00 C ATOM 354 O ASN A 28 9.360 -9.185 17.404 1.00 0.00 O ATOM 355 CB ASN A 28 7.391 -10.486 18.810 1.00 0.00 C ATOM 356 CG ASN A 28 7.558 -9.309 19.751 1.00 0.00 C ATOM 357 OD1 ASN A 28 8.666 -8.810 19.948 1.00 0.00 O ATOM 358 ND2 ASN A 28 6.454 -8.860 20.338 1.00 0.00 N ATOM 0 H ASN A 28 5.572 -10.969 16.296 1.00 0.00 H new ATOM 0 HA ASN A 28 6.413 -9.217 17.376 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.569 -11.111 19.157 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.291 -11.100 18.837 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.504 -8.070 20.982 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.557 -9.305 20.145 1.00 0.00 H new ATOM 365 N GLU A 29 8.452 -9.609 15.390 1.00 0.00 N ATOM 366 CA GLU A 29 9.632 -9.183 14.646 1.00 0.00 C ATOM 367 C GLU A 29 9.253 -8.717 13.244 1.00 0.00 C ATOM 368 O GLU A 29 8.362 -9.283 12.609 1.00 0.00 O ATOM 369 CB GLU A 29 10.647 -10.325 14.560 1.00 0.00 C ATOM 370 CG GLU A 29 10.052 -11.631 14.061 1.00 0.00 C ATOM 371 CD GLU A 29 11.065 -12.759 14.028 1.00 0.00 C ATOM 372 OE1 GLU A 29 11.999 -12.695 13.202 1.00 0.00 O ATOM 373 OE2 GLU A 29 10.924 -13.706 14.831 1.00 0.00 O ATOM 0 H GLU A 29 7.678 -9.928 14.807 1.00 0.00 H new ATOM 0 HA GLU A 29 10.083 -8.345 15.178 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.460 -10.029 13.897 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.083 -10.487 15.546 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.218 -11.915 14.703 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.647 -11.482 13.060 1.00 0.00 H new ATOM 380 N PHE A 30 9.935 -7.682 12.766 1.00 0.00 N ATOM 381 CA PHE A 30 9.670 -7.138 11.439 1.00 0.00 C ATOM 382 C PHE A 30 10.415 -7.929 10.368 1.00 0.00 C ATOM 383 O PHE A 30 11.644 -7.896 10.298 1.00 0.00 O ATOM 384 CB PHE A 30 10.078 -5.664 11.378 1.00 0.00 C ATOM 385 CG PHE A 30 9.076 -4.738 12.006 1.00 0.00 C ATOM 386 CD1 PHE A 30 7.959 -4.323 11.300 1.00 0.00 C ATOM 387 CD2 PHE A 30 9.252 -4.283 13.303 1.00 0.00 C ATOM 388 CE1 PHE A 30 7.035 -3.471 11.876 1.00 0.00 C ATOM 389 CE2 PHE A 30 8.331 -3.431 13.884 1.00 0.00 C ATOM 390 CZ PHE A 30 7.222 -3.024 13.169 1.00 0.00 C ATOM 0 H PHE A 30 10.676 -7.203 13.278 1.00 0.00 H new ATOM 0 HA PHE A 30 8.600 -7.220 11.247 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.039 -5.540 11.878 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.222 -5.378 10.336 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.808 -4.669 10.288 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.118 -4.597 13.866 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.168 -3.155 11.315 1.00 0.00 H new ATOM 0 HE2 PHE A 30 8.479 -3.084 14.896 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.502 -2.357 13.620 1.00 0.00 H new ATOM 400 N LYS A 31 9.663 -8.640 9.536 1.00 0.00 N ATOM 401 CA LYS A 31 10.250 -9.440 8.467 1.00 0.00 C ATOM 402 C LYS A 31 10.049 -8.768 7.112 1.00 0.00 C ATOM 403 O LYS A 31 9.235 -7.855 6.977 1.00 0.00 O ATOM 404 CB LYS A 31 9.631 -10.839 8.451 1.00 0.00 C ATOM 405 CG LYS A 31 10.258 -11.793 9.453 1.00 0.00 C ATOM 406 CD LYS A 31 10.177 -13.234 8.978 1.00 0.00 C ATOM 407 CE LYS A 31 11.006 -14.158 9.857 1.00 0.00 C ATOM 408 NZ LYS A 31 10.381 -14.360 11.194 1.00 0.00 N ATOM 0 H LYS A 31 8.645 -8.679 9.581 1.00 0.00 H new ATOM 0 HA LYS A 31 11.320 -9.525 8.656 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.564 -10.757 8.658 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.730 -11.260 7.450 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.301 -11.520 9.613 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.752 -11.697 10.414 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.137 -13.562 8.982 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.527 -13.299 7.948 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.123 -15.122 9.362 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.005 -13.740 9.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.113 -14.310 11.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.671 -13.619 11.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.922 -15.292 11.225 1.00 0.00 H new ATOM 422 N GLU A 32 10.795 -9.228 6.112 1.00 0.00 N ATOM 423 CA GLU A 32 10.697 -8.671 4.768 1.00 0.00 C ATOM 424 C GLU A 32 9.758 -9.504 3.901 1.00 0.00 C ATOM 425 O GLU A 32 9.938 -10.714 3.755 1.00 0.00 O ATOM 426 CB GLU A 32 12.081 -8.601 4.119 1.00 0.00 C ATOM 427 CG GLU A 32 12.179 -7.572 3.005 1.00 0.00 C ATOM 428 CD GLU A 32 13.556 -7.527 2.373 1.00 0.00 C ATOM 429 OE1 GLU A 32 13.821 -8.345 1.466 1.00 0.00 O ATOM 430 OE2 GLU A 32 14.370 -6.674 2.784 1.00 0.00 O ATOM 0 H GLU A 32 11.473 -9.984 6.207 1.00 0.00 H new ATOM 0 HA GLU A 32 10.290 -7.663 4.849 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.821 -8.367 4.885 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.336 -9.583 3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.439 -7.800 2.238 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.933 -6.587 3.402 1.00 0.00 H new ATOM 437 N LYS A 33 8.754 -8.849 3.327 1.00 0.00 N ATOM 438 CA LYS A 33 7.786 -9.527 2.473 1.00 0.00 C ATOM 439 C LYS A 33 8.257 -9.544 1.023 1.00 0.00 C ATOM 440 O LYS A 33 8.176 -10.567 0.345 1.00 0.00 O ATOM 441 CB LYS A 33 6.422 -8.841 2.570 1.00 0.00 C ATOM 442 CG LYS A 33 5.399 -9.379 1.584 1.00 0.00 C ATOM 443 CD LYS A 33 3.980 -9.048 2.015 1.00 0.00 C ATOM 444 CE LYS A 33 3.003 -9.168 0.856 1.00 0.00 C ATOM 445 NZ LYS A 33 1.775 -8.357 1.080 1.00 0.00 N ATOM 0 H LYS A 33 8.590 -7.848 3.438 1.00 0.00 H new ATOM 0 HA LYS A 33 7.693 -10.557 2.818 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.036 -8.960 3.582 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.550 -7.772 2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.588 -8.958 0.597 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.511 -10.460 1.496 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.677 -9.719 2.819 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.947 -8.035 2.416 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.489 -8.844 -0.064 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.728 -10.214 0.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.443 -7.972 0.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.033 -8.957 1.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.990 -7.574 1.730 1.00 0.00 H new ATOM 459 N GLY A 34 8.752 -8.402 0.553 1.00 0.00 N ATOM 460 CA GLY A 34 9.230 -8.309 -0.814 1.00 0.00 C ATOM 461 C GLY A 34 9.609 -6.892 -1.200 1.00 0.00 C ATOM 462 O GLY A 34 8.902 -5.941 -0.867 1.00 0.00 O ATOM 0 H GLY A 34 8.830 -7.541 1.094 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.095 -8.960 -0.938 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.457 -8.673 -1.491 1.00 0.00 H new ATOM 466 N ILE A 35 10.729 -6.752 -1.901 1.00 0.00 N ATOM 467 CA ILE A 35 11.201 -5.441 -2.331 1.00 0.00 C ATOM 468 C ILE A 35 10.467 -4.976 -3.584 1.00 0.00 C ATOM 469 O ILE A 35 10.037 -5.789 -4.402 1.00 0.00 O ATOM 470 CB ILE A 35 12.715 -5.452 -2.611 1.00 0.00 C ATOM 471 CG1 ILE A 35 13.466 -6.108 -1.451 1.00 0.00 C ATOM 472 CG2 ILE A 35 13.221 -4.036 -2.844 1.00 0.00 C ATOM 473 CD1 ILE A 35 13.247 -5.418 -0.122 1.00 0.00 C ATOM 0 H ILE A 35 11.326 -7.529 -2.183 1.00 0.00 H new ATOM 0 HA ILE A 35 10.996 -4.748 -1.515 1.00 0.00 H new ATOM 0 HB ILE A 35 12.898 -6.035 -3.513 1.00 0.00 H new ATOM 0 HG12 ILE A 35 13.152 -7.148 -1.367 1.00 0.00 H new ATOM 0 HG13 ILE A 35 14.532 -6.114 -1.677 1.00 0.00 H new ATOM 0 HG21 ILE A 35 14.293 -4.060 -3.041 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.705 -3.601 -3.700 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.028 -3.430 -1.958 1.00 0.00 H new ATOM 0 HD11 ILE A 35 13.809 -5.937 0.654 1.00 0.00 H new ATOM 0 HD12 ILE A 35 13.588 -4.385 -0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 35 12.186 -5.435 0.126 1.00 0.00 H new ATOM 485 N GLY A 36 10.328 -3.662 -3.729 1.00 0.00 N ATOM 486 CA GLY A 36 9.647 -3.111 -4.886 1.00 0.00 C ATOM 487 C GLY A 36 9.422 -1.617 -4.769 1.00 0.00 C ATOM 488 O GLY A 36 10.134 -0.929 -4.037 1.00 0.00 O ATOM 0 H GLY A 36 10.675 -2.969 -3.066 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.233 -3.318 -5.781 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.687 -3.611 -5.011 1.00 0.00 H new ATOM 492 N THR A 37 8.429 -1.111 -5.494 1.00 0.00 N ATOM 493 CA THR A 37 8.114 0.312 -5.471 1.00 0.00 C ATOM 494 C THR A 37 6.627 0.542 -5.225 1.00 0.00 C ATOM 495 O THR A 37 5.786 -0.248 -5.657 1.00 0.00 O ATOM 496 CB THR A 37 8.517 0.998 -6.790 1.00 0.00 C ATOM 497 OG1 THR A 37 9.877 0.684 -7.110 1.00 0.00 O ATOM 498 CG2 THR A 37 8.351 2.507 -6.688 1.00 0.00 C ATOM 0 H THR A 37 7.829 -1.666 -6.104 1.00 0.00 H new ATOM 0 HA THR A 37 8.687 0.749 -4.653 1.00 0.00 H new ATOM 0 HB THR A 37 7.863 0.629 -7.580 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.125 1.122 -7.951 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.642 2.970 -7.631 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.309 2.745 -6.473 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.983 2.889 -5.887 1.00 0.00 H new ATOM 506 N LEU A 38 6.308 1.629 -4.530 1.00 0.00 N ATOM 507 CA LEU A 38 4.921 1.963 -4.228 1.00 0.00 C ATOM 508 C LEU A 38 4.341 2.893 -5.289 1.00 0.00 C ATOM 509 O LEU A 38 5.011 3.816 -5.754 1.00 0.00 O ATOM 510 CB LEU A 38 4.823 2.621 -2.850 1.00 0.00 C ATOM 511 CG LEU A 38 3.514 3.350 -2.545 1.00 0.00 C ATOM 512 CD1 LEU A 38 3.212 3.305 -1.055 1.00 0.00 C ATOM 513 CD2 LEU A 38 3.579 4.789 -3.035 1.00 0.00 C ATOM 0 H LEU A 38 6.991 2.293 -4.166 1.00 0.00 H new ATOM 0 HA LEU A 38 4.343 1.039 -4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.973 1.853 -2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.643 3.332 -2.750 1.00 0.00 H new ATOM 0 HG LEU A 38 2.706 2.843 -3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.277 3.829 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.122 2.267 -0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.021 3.786 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.639 5.293 -2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.397 5.307 -2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.747 4.799 -4.112 1.00 0.00 H new ATOM 525 N HIS A 39 3.091 2.644 -5.667 1.00 0.00 N ATOM 526 CA HIS A 39 2.420 3.461 -6.672 1.00 0.00 C ATOM 527 C HIS A 39 0.952 3.668 -6.311 1.00 0.00 C ATOM 528 O HIS A 39 0.210 2.706 -6.105 1.00 0.00 O ATOM 529 CB HIS A 39 2.531 2.806 -8.049 1.00 0.00 C ATOM 530 CG HIS A 39 3.942 2.635 -8.519 1.00 0.00 C ATOM 531 ND1 HIS A 39 4.586 3.556 -9.318 1.00 0.00 N ATOM 532 CD2 HIS A 39 4.836 1.643 -8.297 1.00 0.00 C ATOM 533 CE1 HIS A 39 5.814 3.137 -9.569 1.00 0.00 C ATOM 534 NE2 HIS A 39 5.991 1.978 -8.960 1.00 0.00 N ATOM 0 H HIS A 39 2.523 1.884 -5.293 1.00 0.00 H new ATOM 0 HA HIS A 39 2.910 4.434 -6.700 1.00 0.00 H new ATOM 0 HB2 HIS A 39 2.046 1.830 -8.018 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.986 3.410 -8.774 1.00 0.00 H new ATOM 0 HD1 HIS A 39 4.178 4.425 -9.662 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.671 0.753 -7.708 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.548 3.654 -10.170 1.00 0.00 H new ATOM 542 N LEU A 40 0.539 4.928 -6.236 1.00 0.00 N ATOM 543 CA LEU A 40 -0.841 5.263 -5.899 1.00 0.00 C ATOM 544 C LEU A 40 -1.592 5.773 -7.124 1.00 0.00 C ATOM 545 O LEU A 40 -1.134 6.686 -7.812 1.00 0.00 O ATOM 546 CB LEU A 40 -0.875 6.316 -4.790 1.00 0.00 C ATOM 547 CG LEU A 40 -0.326 5.878 -3.432 1.00 0.00 C ATOM 548 CD1 LEU A 40 -0.097 7.085 -2.535 1.00 0.00 C ATOM 549 CD2 LEU A 40 -1.274 4.890 -2.767 1.00 0.00 C ATOM 0 H LEU A 40 1.140 5.735 -6.404 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.333 4.357 -5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.310 7.186 -5.125 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.907 6.639 -4.655 1.00 0.00 H new ATOM 0 HG LEU A 40 0.631 5.382 -3.591 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.294 6.754 -1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.620 7.758 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.040 7.609 -2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.867 4.589 -1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.246 5.361 -2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.388 4.012 -3.402 1.00 0.00 H new ATOM 561 N LYS A 41 -2.750 5.179 -7.391 1.00 0.00 N ATOM 562 CA LYS A 41 -3.569 5.575 -8.531 1.00 0.00 C ATOM 563 C LYS A 41 -5.005 5.852 -8.100 1.00 0.00 C ATOM 564 O LYS A 41 -5.617 5.081 -7.361 1.00 0.00 O ATOM 565 CB LYS A 41 -3.549 4.482 -9.603 1.00 0.00 C ATOM 566 CG LYS A 41 -4.065 3.140 -9.113 1.00 0.00 C ATOM 567 CD LYS A 41 -3.919 2.065 -10.177 1.00 0.00 C ATOM 568 CE LYS A 41 -4.450 0.725 -9.691 1.00 0.00 C ATOM 569 NZ LYS A 41 -5.906 0.572 -9.966 1.00 0.00 N ATOM 0 H LYS A 41 -3.143 4.421 -6.833 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.150 6.492 -8.946 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.152 4.806 -10.451 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.528 4.359 -9.966 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.518 2.844 -8.218 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.114 3.233 -8.830 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.456 2.366 -11.076 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.869 1.964 -10.452 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.902 -0.081 -10.178 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.271 0.630 -8.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.131 -0.435 -10.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.452 0.950 -9.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.153 1.094 -10.831 1.00 0.00 H new ATOM 583 N PRO A 42 -5.558 6.980 -8.571 1.00 0.00 N ATOM 584 CA PRO A 42 -6.930 7.384 -8.248 1.00 0.00 C ATOM 585 C PRO A 42 -7.970 6.483 -8.906 1.00 0.00 C ATOM 586 O PRO A 42 -7.914 6.228 -10.110 1.00 0.00 O ATOM 587 CB PRO A 42 -7.022 8.805 -8.809 1.00 0.00 C ATOM 588 CG PRO A 42 -6.006 8.850 -9.897 1.00 0.00 C ATOM 589 CD PRO A 42 -4.887 7.947 -9.456 1.00 0.00 C ATOM 0 HA PRO A 42 -7.133 7.319 -7.179 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.021 9.016 -9.191 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.812 9.548 -8.040 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.431 8.512 -10.842 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.648 9.867 -10.055 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.411 7.453 -10.303 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.108 8.499 -8.931 1.00 0.00 H new ATOM 597 N THR A 43 -8.919 6.003 -8.109 1.00 0.00 N ATOM 598 CA THR A 43 -9.971 5.129 -8.613 1.00 0.00 C ATOM 599 C THR A 43 -11.068 5.932 -9.303 1.00 0.00 C ATOM 600 O THR A 43 -11.228 7.126 -9.051 1.00 0.00 O ATOM 601 CB THR A 43 -10.597 4.293 -7.482 1.00 0.00 C ATOM 602 OG1 THR A 43 -11.409 5.126 -6.647 1.00 0.00 O ATOM 603 CG2 THR A 43 -9.519 3.624 -6.643 1.00 0.00 C ATOM 0 H THR A 43 -8.981 6.205 -7.111 1.00 0.00 H new ATOM 0 HA THR A 43 -9.506 4.458 -9.335 1.00 0.00 H new ATOM 0 HB THR A 43 -11.217 3.519 -7.934 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.866 5.858 -6.288 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.986 3.039 -5.850 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.921 2.967 -7.275 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.876 4.386 -6.201 1.00 0.00 H new ATOM 611 N ALA A 44 -11.822 5.269 -10.173 1.00 0.00 N ATOM 612 CA ALA A 44 -12.906 5.920 -10.897 1.00 0.00 C ATOM 613 C ALA A 44 -13.687 6.861 -9.986 1.00 0.00 C ATOM 614 O ALA A 44 -14.274 7.840 -10.445 1.00 0.00 O ATOM 615 CB ALA A 44 -13.835 4.880 -11.506 1.00 0.00 C ATOM 0 H ALA A 44 -11.702 4.280 -10.394 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.468 6.513 -11.700 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.640 5.381 -12.044 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.274 4.251 -12.197 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -14.258 4.262 -10.714 1.00 0.00 H new ATOM 621 N ASN A 45 -13.691 6.557 -8.692 1.00 0.00 N ATOM 622 CA ASN A 45 -14.401 7.375 -7.716 1.00 0.00 C ATOM 623 C ASN A 45 -13.431 8.262 -6.941 1.00 0.00 C ATOM 624 O ASN A 45 -12.225 8.240 -7.185 1.00 0.00 O ATOM 625 CB ASN A 45 -15.184 6.487 -6.748 1.00 0.00 C ATOM 626 CG ASN A 45 -15.823 5.299 -7.441 1.00 0.00 C ATOM 627 OD1 ASN A 45 -15.262 4.203 -7.463 1.00 0.00 O ATOM 628 ND2 ASN A 45 -17.004 5.512 -8.011 1.00 0.00 N ATOM 0 H ASN A 45 -13.210 5.750 -8.295 1.00 0.00 H new ATOM 0 HA ASN A 45 -15.099 8.016 -8.255 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -14.515 6.131 -5.964 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -15.958 7.080 -6.261 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -17.483 4.751 -8.492 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -17.432 6.437 -7.968 1.00 0.00 H new ATOM 635 N GLN A 46 -13.968 9.039 -6.006 1.00 0.00 N ATOM 636 CA GLN A 46 -13.150 9.933 -5.194 1.00 0.00 C ATOM 637 C GLN A 46 -12.283 9.142 -4.219 1.00 0.00 C ATOM 638 O GLN A 46 -11.555 9.719 -3.411 1.00 0.00 O ATOM 639 CB GLN A 46 -14.036 10.914 -4.426 1.00 0.00 C ATOM 640 CG GLN A 46 -14.855 11.826 -5.326 1.00 0.00 C ATOM 641 CD GLN A 46 -15.610 12.887 -4.549 1.00 0.00 C ATOM 642 OE1 GLN A 46 -15.276 13.190 -3.404 1.00 0.00 O ATOM 643 NE2 GLN A 46 -16.636 13.458 -5.170 1.00 0.00 N ATOM 0 H GLN A 46 -14.965 9.068 -5.792 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.496 10.493 -5.863 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -14.711 10.352 -3.781 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.409 11.525 -3.777 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -14.194 12.309 -6.045 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -15.564 11.226 -5.897 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -16.878 13.176 -6.120 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -17.182 14.178 -4.697 1.00 0.00 H new ATOM 652 N LYS A 47 -12.366 7.819 -4.301 1.00 0.00 N ATOM 653 CA LYS A 47 -11.589 6.948 -3.427 1.00 0.00 C ATOM 654 C LYS A 47 -10.145 6.843 -3.907 1.00 0.00 C ATOM 655 O LYS A 47 -9.794 7.360 -4.968 1.00 0.00 O ATOM 656 CB LYS A 47 -12.221 5.555 -3.369 1.00 0.00 C ATOM 657 CG LYS A 47 -13.373 5.450 -2.385 1.00 0.00 C ATOM 658 CD LYS A 47 -14.670 5.961 -2.989 1.00 0.00 C ATOM 659 CE LYS A 47 -15.827 5.840 -2.008 1.00 0.00 C ATOM 660 NZ LYS A 47 -17.107 6.321 -2.599 1.00 0.00 N ATOM 0 H LYS A 47 -12.964 7.326 -4.964 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.590 7.383 -2.428 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -12.578 5.285 -4.363 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.455 4.829 -3.097 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.498 4.411 -2.079 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.139 6.021 -1.487 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.549 7.003 -3.284 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -14.898 5.398 -3.894 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -15.936 4.800 -1.702 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.603 6.415 -1.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.871 6.222 -1.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -17.011 7.321 -2.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -17.334 5.756 -3.442 1.00 0.00 H new ATOM 674 N THR A 48 -9.312 6.171 -3.119 1.00 0.00 N ATOM 675 CA THR A 48 -7.906 5.998 -3.464 1.00 0.00 C ATOM 676 C THR A 48 -7.480 4.542 -3.322 1.00 0.00 C ATOM 677 O THR A 48 -7.796 3.888 -2.328 1.00 0.00 O ATOM 678 CB THR A 48 -6.999 6.875 -2.580 1.00 0.00 C ATOM 679 OG1 THR A 48 -7.321 8.258 -2.767 1.00 0.00 O ATOM 680 CG2 THR A 48 -5.533 6.642 -2.909 1.00 0.00 C ATOM 0 H THR A 48 -9.586 5.738 -2.237 1.00 0.00 H new ATOM 0 HA THR A 48 -7.796 6.306 -4.504 1.00 0.00 H new ATOM 0 HB THR A 48 -7.169 6.600 -1.539 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.753 8.606 -1.959 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.913 7.272 -2.272 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.283 5.595 -2.737 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.351 6.891 -3.954 1.00 0.00 H new ATOM 688 N GLN A 49 -6.761 4.040 -4.321 1.00 0.00 N ATOM 689 CA GLN A 49 -6.292 2.660 -4.306 1.00 0.00 C ATOM 690 C GLN A 49 -4.770 2.603 -4.237 1.00 0.00 C ATOM 691 O GLN A 49 -4.079 3.430 -4.834 1.00 0.00 O ATOM 692 CB GLN A 49 -6.786 1.918 -5.549 1.00 0.00 C ATOM 693 CG GLN A 49 -6.686 0.405 -5.434 1.00 0.00 C ATOM 694 CD GLN A 49 -6.736 -0.287 -6.782 1.00 0.00 C ATOM 695 OE1 GLN A 49 -7.723 -0.181 -7.511 1.00 0.00 O ATOM 696 NE2 GLN A 49 -5.670 -1.002 -7.120 1.00 0.00 N ATOM 0 H GLN A 49 -6.491 4.568 -5.151 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.696 2.175 -3.417 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.824 2.192 -5.737 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.208 2.247 -6.412 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.756 0.143 -4.930 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.501 0.037 -4.810 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.874 -1.062 -6.485 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.647 -1.491 -8.015 1.00 0.00 H new ATOM 705 N LEU A 50 -4.252 1.623 -3.504 1.00 0.00 N ATOM 706 CA LEU A 50 -2.810 1.458 -3.356 1.00 0.00 C ATOM 707 C LEU A 50 -2.300 0.315 -4.227 1.00 0.00 C ATOM 708 O LEU A 50 -2.991 -0.686 -4.424 1.00 0.00 O ATOM 709 CB LEU A 50 -2.454 1.197 -1.892 1.00 0.00 C ATOM 710 CG LEU A 50 -0.966 1.242 -1.544 1.00 0.00 C ATOM 711 CD1 LEU A 50 -0.766 1.717 -0.113 1.00 0.00 C ATOM 712 CD2 LEU A 50 -0.328 -0.125 -1.748 1.00 0.00 C ATOM 0 H LEU A 50 -4.809 0.931 -3.003 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.329 2.380 -3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.973 1.932 -1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.842 0.217 -1.614 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.478 1.952 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.299 1.742 0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.186 2.717 0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.268 1.033 0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.731 -0.074 -1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.819 -0.855 -1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.438 -0.426 -2.790 1.00 0.00 H new ATOM 724 N LEU A 51 -1.087 0.468 -4.745 1.00 0.00 N ATOM 725 CA LEU A 51 -0.482 -0.553 -5.594 1.00 0.00 C ATOM 726 C LEU A 51 1.023 -0.633 -5.363 1.00 0.00 C ATOM 727 O LEU A 51 1.671 0.373 -5.074 1.00 0.00 O ATOM 728 CB LEU A 51 -0.769 -0.255 -7.067 1.00 0.00 C ATOM 729 CG LEU A 51 -0.331 -1.327 -8.066 1.00 0.00 C ATOM 730 CD1 LEU A 51 -1.077 -2.628 -7.813 1.00 0.00 C ATOM 731 CD2 LEU A 51 -0.557 -0.850 -9.493 1.00 0.00 C ATOM 0 H LEU A 51 -0.502 1.290 -4.592 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.922 -1.515 -5.332 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.841 -0.095 -7.183 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.277 0.681 -7.330 1.00 0.00 H new ATOM 0 HG LEU A 51 0.735 -1.510 -7.930 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.753 -3.379 -8.533 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.865 -2.978 -6.803 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.148 -2.460 -7.922 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.240 -1.625 -10.190 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.616 -0.639 -9.643 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.022 0.056 -9.670 1.00 0.00 H new ATOM 743 N VAL A 52 1.574 -1.835 -5.494 1.00 0.00 N ATOM 744 CA VAL A 52 3.004 -2.046 -5.302 1.00 0.00 C ATOM 745 C VAL A 52 3.565 -2.997 -6.353 1.00 0.00 C ATOM 746 O VAL A 52 3.031 -4.086 -6.567 1.00 0.00 O ATOM 747 CB VAL A 52 3.306 -2.610 -3.901 1.00 0.00 C ATOM 748 CG1 VAL A 52 4.798 -2.856 -3.734 1.00 0.00 C ATOM 749 CG2 VAL A 52 2.789 -1.668 -2.825 1.00 0.00 C ATOM 0 H VAL A 52 1.052 -2.678 -5.732 1.00 0.00 H new ATOM 0 HA VAL A 52 3.484 -1.073 -5.404 1.00 0.00 H new ATOM 0 HB VAL A 52 2.791 -3.565 -3.794 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.992 -3.254 -2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.135 -3.572 -4.483 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.338 -1.918 -3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.011 -2.082 -1.842 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.274 -0.697 -2.928 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.711 -1.548 -2.933 1.00 0.00 H new ATOM 759 N ARG A 53 4.645 -2.580 -7.005 1.00 0.00 N ATOM 760 CA ARG A 53 5.279 -3.395 -8.035 1.00 0.00 C ATOM 761 C ARG A 53 6.516 -4.099 -7.486 1.00 0.00 C ATOM 762 O ARG A 53 7.215 -3.566 -6.625 1.00 0.00 O ATOM 763 CB ARG A 53 5.662 -2.529 -9.236 1.00 0.00 C ATOM 764 CG ARG A 53 6.517 -3.255 -10.262 1.00 0.00 C ATOM 765 CD ARG A 53 6.911 -2.338 -11.409 1.00 0.00 C ATOM 766 NE ARG A 53 5.819 -2.153 -12.362 1.00 0.00 N ATOM 767 CZ ARG A 53 5.412 -3.096 -13.204 1.00 0.00 C ATOM 768 NH1 ARG A 53 6.002 -4.284 -13.211 1.00 0.00 N ATOM 769 NH2 ARG A 53 4.412 -2.853 -14.042 1.00 0.00 N ATOM 0 H ARG A 53 5.100 -1.682 -6.838 1.00 0.00 H new ATOM 0 HA ARG A 53 4.564 -4.152 -8.356 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.753 -2.172 -9.720 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.201 -1.650 -8.882 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.415 -3.643 -9.780 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.969 -4.113 -10.652 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.213 -1.369 -11.011 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.776 -2.754 -11.925 1.00 0.00 H new ATOM 0 HE ARG A 53 5.344 -1.251 -12.382 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.771 -4.475 -12.568 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.687 -5.006 -13.859 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.955 -1.941 -14.040 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.100 -3.578 -14.688 1.00 0.00 H new ATOM 783 N ALA A 54 6.779 -5.300 -7.990 1.00 0.00 N ATOM 784 CA ALA A 54 7.932 -6.076 -7.552 1.00 0.00 C ATOM 785 C ALA A 54 9.224 -5.285 -7.722 1.00 0.00 C ATOM 786 O ALA A 54 9.243 -4.241 -8.376 1.00 0.00 O ATOM 787 CB ALA A 54 8.009 -7.387 -8.321 1.00 0.00 C ATOM 0 H ALA A 54 6.209 -5.757 -8.702 1.00 0.00 H new ATOM 0 HA ALA A 54 7.808 -6.296 -6.492 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.875 -7.956 -7.984 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.103 -7.966 -8.144 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.105 -7.179 -9.387 1.00 0.00 H new ATOM 793 N ASP A 55 10.302 -5.786 -7.130 1.00 0.00 N ATOM 794 CA ASP A 55 11.600 -5.125 -7.216 1.00 0.00 C ATOM 795 C ASP A 55 12.496 -5.820 -8.237 1.00 0.00 C ATOM 796 O ASP A 55 13.321 -5.181 -8.892 1.00 0.00 O ATOM 797 CB ASP A 55 12.281 -5.111 -5.847 1.00 0.00 C ATOM 798 CG ASP A 55 13.791 -5.029 -5.952 1.00 0.00 C ATOM 799 OD1 ASP A 55 14.294 -4.017 -6.484 1.00 0.00 O ATOM 800 OD2 ASP A 55 14.470 -5.976 -5.504 1.00 0.00 O ATOM 0 H ASP A 55 10.303 -6.648 -6.585 1.00 0.00 H new ATOM 0 HA ASP A 55 11.437 -4.098 -7.542 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.913 -4.262 -5.270 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.006 -6.012 -5.299 1.00 0.00 H new ATOM 859 N ASN A 60 4.048 -9.066 -10.921 1.00 0.00 N ATOM 860 CA ASN A 60 3.256 -9.529 -9.787 1.00 0.00 C ATOM 861 C ASN A 60 2.933 -8.376 -8.842 1.00 0.00 C ATOM 862 O ASN A 60 3.692 -7.411 -8.741 1.00 0.00 O ATOM 863 CB ASN A 60 4.004 -10.629 -9.031 1.00 0.00 C ATOM 864 CG ASN A 60 3.216 -11.153 -7.845 1.00 0.00 C ATOM 865 OD1 ASN A 60 2.268 -11.922 -8.007 1.00 0.00 O ATOM 866 ND2 ASN A 60 3.607 -10.738 -6.646 1.00 0.00 N ATOM 0 HA ASN A 60 2.320 -9.934 -10.171 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.220 -11.452 -9.712 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.962 -10.241 -8.685 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.116 -11.057 -5.811 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.398 -10.100 -6.560 1.00 0.00 H new ATOM 873 N ILE A 61 1.803 -8.483 -8.151 1.00 0.00 N ATOM 874 CA ILE A 61 1.381 -7.451 -7.213 1.00 0.00 C ATOM 875 C ILE A 61 1.738 -7.831 -5.780 1.00 0.00 C ATOM 876 O ILE A 61 1.253 -8.832 -5.252 1.00 0.00 O ATOM 877 CB ILE A 61 -0.136 -7.196 -7.301 1.00 0.00 C ATOM 878 CG1 ILE A 61 -0.512 -6.711 -8.703 1.00 0.00 C ATOM 879 CG2 ILE A 61 -0.564 -6.182 -6.251 1.00 0.00 C ATOM 880 CD1 ILE A 61 -2.000 -6.749 -8.976 1.00 0.00 C ATOM 0 H ILE A 61 1.163 -9.274 -8.223 1.00 0.00 H new ATOM 0 HA ILE A 61 1.911 -6.539 -7.488 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.660 -8.132 -7.108 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.153 -5.690 -8.834 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.001 -7.327 -9.442 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.638 -6.012 -6.326 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.325 -6.563 -5.258 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.036 -5.243 -6.416 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.194 -6.392 -9.987 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.362 -7.772 -8.877 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.518 -6.110 -8.260 1.00 0.00 H new ATOM 892 N LEU A 62 2.588 -7.024 -5.155 1.00 0.00 N ATOM 893 CA LEU A 62 3.010 -7.274 -3.781 1.00 0.00 C ATOM 894 C LEU A 62 1.910 -6.892 -2.795 1.00 0.00 C ATOM 895 O LEU A 62 1.552 -7.675 -1.915 1.00 0.00 O ATOM 896 CB LEU A 62 4.286 -6.489 -3.467 1.00 0.00 C ATOM 897 CG LEU A 62 5.558 -6.971 -4.165 1.00 0.00 C ATOM 898 CD1 LEU A 62 6.737 -6.083 -3.798 1.00 0.00 C ATOM 899 CD2 LEU A 62 5.848 -8.421 -3.804 1.00 0.00 C ATOM 0 H LEU A 62 2.998 -6.191 -5.577 1.00 0.00 H new ATOM 0 HA LEU A 62 3.211 -8.340 -3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.122 -5.445 -3.734 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.452 -6.520 -2.390 1.00 0.00 H new ATOM 0 HG LEU A 62 5.404 -6.909 -5.242 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.634 -6.441 -4.304 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.531 -5.058 -4.107 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.893 -6.112 -2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.757 -8.747 -4.310 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.982 -8.508 -2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.013 -9.048 -4.118 1.00 0.00 H new ATOM 911 N LEU A 63 1.376 -5.685 -2.951 1.00 0.00 N ATOM 912 CA LEU A 63 0.314 -5.200 -2.076 1.00 0.00 C ATOM 913 C LEU A 63 -0.593 -4.220 -2.814 1.00 0.00 C ATOM 914 O LEU A 63 -0.166 -3.132 -3.197 1.00 0.00 O ATOM 915 CB LEU A 63 0.913 -4.527 -0.840 1.00 0.00 C ATOM 916 CG LEU A 63 -0.085 -3.879 0.120 1.00 0.00 C ATOM 917 CD1 LEU A 63 -0.976 -4.934 0.757 1.00 0.00 C ATOM 918 CD2 LEU A 63 0.646 -3.080 1.190 1.00 0.00 C ATOM 0 H LEU A 63 1.661 -5.025 -3.675 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.285 -6.055 -1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.487 -5.271 -0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.616 -3.763 -1.172 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.715 -3.196 -0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.680 -4.454 1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.527 -5.463 -0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.361 -5.643 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.080 -2.626 1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.301 -3.743 1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.241 -2.298 0.718 1.00 0.00 H new ATOM 930 N ASN A 64 -1.848 -4.614 -3.007 1.00 0.00 N ATOM 931 CA ASN A 64 -2.816 -3.770 -3.696 1.00 0.00 C ATOM 932 C ASN A 64 -4.166 -3.798 -2.985 1.00 0.00 C ATOM 933 O ASN A 64 -4.913 -4.771 -3.087 1.00 0.00 O ATOM 934 CB ASN A 64 -2.982 -4.228 -5.147 1.00 0.00 C ATOM 935 CG ASN A 64 -4.166 -3.571 -5.829 1.00 0.00 C ATOM 936 OD1 ASN A 64 -4.881 -2.773 -5.223 1.00 0.00 O ATOM 937 ND2 ASN A 64 -4.379 -3.906 -7.096 1.00 0.00 N ATOM 0 H ASN A 64 -2.218 -5.512 -2.696 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.441 -2.747 -3.685 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.073 -3.999 -5.703 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.107 -5.311 -5.171 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.161 -3.497 -7.607 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.760 -4.572 -7.558 1.00 0.00 H new ATOM 944 N VAL A 65 -4.472 -2.723 -2.266 1.00 0.00 N ATOM 945 CA VAL A 65 -5.732 -2.623 -1.539 1.00 0.00 C ATOM 946 C VAL A 65 -6.235 -1.184 -1.506 1.00 0.00 C ATOM 947 O VAL A 65 -5.572 -0.272 -2.002 1.00 0.00 O ATOM 948 CB VAL A 65 -5.590 -3.139 -0.095 1.00 0.00 C ATOM 949 CG1 VAL A 65 -5.231 -4.617 -0.088 1.00 0.00 C ATOM 950 CG2 VAL A 65 -4.549 -2.326 0.661 1.00 0.00 C ATOM 0 H VAL A 65 -3.865 -1.909 -2.171 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.453 -3.245 -2.069 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.549 -3.020 0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.135 -4.963 0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.015 -5.184 -0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.286 -4.764 -0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.461 -2.704 1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.586 -2.411 0.158 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.853 -1.280 0.687 1.00 0.00 H new ATOM 960 N LEU A 66 -7.409 -0.987 -0.918 1.00 0.00 N ATOM 961 CA LEU A 66 -8.002 0.343 -0.819 1.00 0.00 C ATOM 962 C LEU A 66 -7.930 0.865 0.613 1.00 0.00 C ATOM 963 O LEU A 66 -7.990 0.093 1.570 1.00 0.00 O ATOM 964 CB LEU A 66 -9.457 0.310 -1.290 1.00 0.00 C ATOM 965 CG LEU A 66 -9.672 0.149 -2.795 1.00 0.00 C ATOM 966 CD1 LEU A 66 -10.977 -0.580 -3.073 1.00 0.00 C ATOM 967 CD2 LEU A 66 -9.660 1.506 -3.483 1.00 0.00 C ATOM 0 H LEU A 66 -7.970 -1.731 -0.502 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.434 1.017 -1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.964 -0.510 -0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.942 1.232 -0.971 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.854 -0.448 -3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.113 -0.685 -4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.947 -1.568 -2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.808 -0.010 -2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.814 1.372 -4.554 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.458 2.127 -3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.699 1.992 -3.313 1.00 0.00 H new ATOM 979 N ILE A 67 -7.803 2.181 0.751 1.00 0.00 N ATOM 980 CA ILE A 67 -7.727 2.807 2.065 1.00 0.00 C ATOM 981 C ILE A 67 -8.985 2.528 2.880 1.00 0.00 C ATOM 982 O ILE A 67 -10.101 2.858 2.478 1.00 0.00 O ATOM 983 CB ILE A 67 -7.528 4.330 1.953 1.00 0.00 C ATOM 984 CG1 ILE A 67 -6.136 4.645 1.401 1.00 0.00 C ATOM 985 CG2 ILE A 67 -7.729 4.991 3.308 1.00 0.00 C ATOM 986 CD1 ILE A 67 -5.935 6.106 1.067 1.00 0.00 C ATOM 0 H ILE A 67 -7.751 2.834 -0.031 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.865 2.373 2.572 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.271 4.729 1.262 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.387 4.341 2.132 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.966 4.049 0.504 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.585 6.067 3.213 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.739 4.790 3.665 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -7.007 4.590 4.019 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.927 6.256 0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.661 6.410 0.313 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.072 6.707 1.966 1.00 0.00 H new ATOM 998 N PRO A 68 -8.804 1.908 4.056 1.00 0.00 N ATOM 999 CA PRO A 68 -9.913 1.574 4.954 1.00 0.00 C ATOM 1000 C PRO A 68 -10.536 2.811 5.591 1.00 0.00 C ATOM 1001 O PRO A 68 -10.016 3.923 5.484 1.00 0.00 O ATOM 1002 CB PRO A 68 -9.253 0.697 6.021 1.00 0.00 C ATOM 1003 CG PRO A 68 -7.822 1.110 6.019 1.00 0.00 C ATOM 1004 CD PRO A 68 -7.502 1.486 4.598 1.00 0.00 C ATOM 0 HA PRO A 68 -10.731 1.084 4.427 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -9.709 0.853 6.999 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -9.360 -0.362 5.785 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -7.658 1.952 6.692 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.181 0.298 6.362 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.767 2.290 4.551 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.089 0.644 4.043 1.00 0.00 H new ATOM 1012 N PRO A 69 -11.675 2.618 6.272 1.00 0.00 N ATOM 1013 CA PRO A 69 -12.393 3.707 6.941 1.00 0.00 C ATOM 1014 C PRO A 69 -11.641 4.234 8.158 1.00 0.00 C ATOM 1015 O PRO A 69 -11.562 3.566 9.188 1.00 0.00 O ATOM 1016 CB PRO A 69 -13.710 3.055 7.367 1.00 0.00 C ATOM 1017 CG PRO A 69 -13.393 1.604 7.487 1.00 0.00 C ATOM 1018 CD PRO A 69 -12.351 1.320 6.440 1.00 0.00 C ATOM 0 HA PRO A 69 -12.521 4.572 6.290 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -14.065 3.462 8.314 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -14.494 3.229 6.631 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -13.020 1.367 8.483 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -14.283 0.995 7.327 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.657 0.544 6.764 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -12.800 0.977 5.508 1.00 0.00 H new ATOM 1026 N ASN A 70 -11.090 5.437 8.032 1.00 0.00 N ATOM 1027 CA ASN A 70 -10.344 6.054 9.123 1.00 0.00 C ATOM 1028 C ASN A 70 -9.065 5.275 9.417 1.00 0.00 C ATOM 1029 O ASN A 70 -8.765 4.968 10.570 1.00 0.00 O ATOM 1030 CB ASN A 70 -11.209 6.129 10.382 1.00 0.00 C ATOM 1031 CG ASN A 70 -11.963 7.442 10.489 1.00 0.00 C ATOM 1032 OD1 ASN A 70 -13.182 7.458 10.656 1.00 0.00 O ATOM 1033 ND2 ASN A 70 -11.237 8.550 10.391 1.00 0.00 N ATOM 0 H ASN A 70 -11.146 6.004 7.186 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.071 7.064 8.817 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.921 5.304 10.380 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.577 6.003 11.261 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -11.688 9.463 10.454 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.228 8.488 10.253 1.00 0.00 H new ATOM 1040 N MET A 71 -8.316 4.959 8.366 1.00 0.00 N ATOM 1041 CA MET A 71 -7.069 4.217 8.511 1.00 0.00 C ATOM 1042 C MET A 71 -6.148 4.896 9.520 1.00 0.00 C ATOM 1043 O MET A 71 -5.788 6.065 9.379 1.00 0.00 O ATOM 1044 CB MET A 71 -6.363 4.094 7.160 1.00 0.00 C ATOM 1045 CG MET A 71 -5.259 3.050 7.144 1.00 0.00 C ATOM 1046 SD MET A 71 -3.662 3.721 7.646 1.00 0.00 S ATOM 1047 CE MET A 71 -3.294 4.794 6.260 1.00 0.00 C ATOM 0 H MET A 71 -8.551 5.205 7.404 1.00 0.00 H new ATOM 0 HA MET A 71 -7.309 3.219 8.878 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.099 3.844 6.396 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.940 5.062 6.891 1.00 0.00 H new ATOM 0 HG2 MET A 71 -5.530 2.230 7.809 1.00 0.00 H new ATOM 0 HG3 MET A 71 -5.174 2.632 6.141 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.214 4.915 6.170 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.688 4.353 5.344 1.00 0.00 H new ATOM 0 HE3 MET A 71 -3.756 5.768 6.421 1.00 0.00 H new ATOM 1057 N PRO A 72 -5.755 4.148 10.561 1.00 0.00 N ATOM 1058 CA PRO A 72 -4.870 4.657 11.613 1.00 0.00 C ATOM 1059 C PRO A 72 -3.447 4.883 11.114 1.00 0.00 C ATOM 1060 O PRO A 72 -2.831 3.986 10.538 1.00 0.00 O ATOM 1061 CB PRO A 72 -4.897 3.548 12.667 1.00 0.00 C ATOM 1062 CG PRO A 72 -5.236 2.312 11.908 1.00 0.00 C ATOM 1063 CD PRO A 72 -6.145 2.747 10.792 1.00 0.00 C ATOM 0 HA PRO A 72 -5.198 5.627 11.987 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.933 3.454 13.167 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.638 3.754 13.439 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.337 1.836 11.516 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.729 1.582 12.551 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.004 2.138 9.899 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -7.195 2.663 11.073 1.00 0.00 H new ATOM 1071 N CYS A 73 -2.931 6.086 11.339 1.00 0.00 N ATOM 1072 CA CYS A 73 -1.579 6.430 10.911 1.00 0.00 C ATOM 1073 C CYS A 73 -0.650 6.575 12.112 1.00 0.00 C ATOM 1074 O CYS A 73 -0.990 7.226 13.100 1.00 0.00 O ATOM 1075 CB CYS A 73 -1.593 7.728 10.102 1.00 0.00 C ATOM 1076 SG CYS A 73 -2.107 9.182 11.046 1.00 0.00 S ATOM 0 H CYS A 73 -3.427 6.839 11.815 1.00 0.00 H new ATOM 0 HA CYS A 73 -1.206 5.622 10.281 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -0.595 7.903 9.700 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.263 7.606 9.251 1.00 0.00 H new ATOM 0 HG CYS A 73 -1.883 8.980 12.310 1.00 0.00 H new ATOM 1082 N THR A 74 0.527 5.962 12.020 1.00 0.00 N ATOM 1083 CA THR A 74 1.505 6.020 13.099 1.00 0.00 C ATOM 1084 C THR A 74 2.911 6.242 12.555 1.00 0.00 C ATOM 1085 O THR A 74 3.513 5.337 11.976 1.00 0.00 O ATOM 1086 CB THR A 74 1.490 4.730 13.940 1.00 0.00 C ATOM 1087 OG1 THR A 74 1.191 3.605 13.107 1.00 0.00 O ATOM 1088 CG2 THR A 74 0.463 4.825 15.059 1.00 0.00 C ATOM 0 H THR A 74 0.825 5.420 11.209 1.00 0.00 H new ATOM 0 HA THR A 74 1.227 6.862 13.733 1.00 0.00 H new ATOM 0 HB THR A 74 2.477 4.601 14.384 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.873 2.862 13.662 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.471 3.902 15.639 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.710 5.665 15.709 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.528 4.976 14.631 1.00 0.00 H new ATOM 1096 N ARG A 75 3.431 7.450 12.745 1.00 0.00 N ATOM 1097 CA ARG A 75 4.767 7.790 12.272 1.00 0.00 C ATOM 1098 C ARG A 75 5.828 7.352 13.278 1.00 0.00 C ATOM 1099 O ARG A 75 5.869 7.842 14.407 1.00 0.00 O ATOM 1100 CB ARG A 75 4.876 9.296 12.024 1.00 0.00 C ATOM 1101 CG ARG A 75 6.176 9.711 11.355 1.00 0.00 C ATOM 1102 CD ARG A 75 6.127 9.483 9.853 1.00 0.00 C ATOM 1103 NE ARG A 75 7.028 10.378 9.133 1.00 0.00 N ATOM 1104 CZ ARG A 75 8.352 10.306 9.212 1.00 0.00 C ATOM 1105 NH1 ARG A 75 8.926 9.385 9.974 1.00 0.00 N ATOM 1106 NH2 ARG A 75 9.106 11.157 8.527 1.00 0.00 N ATOM 0 H ARG A 75 2.947 8.210 13.223 1.00 0.00 H new ATOM 0 HA ARG A 75 4.938 7.261 11.335 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.039 9.615 11.402 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.784 9.820 12.975 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.371 10.764 11.558 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.004 9.145 11.783 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.393 8.449 9.635 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.108 9.632 9.497 1.00 0.00 H new ATOM 0 HE ARG A 75 6.619 11.098 8.537 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.351 8.729 10.502 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.943 9.333 10.032 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.669 11.867 7.939 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.123 11.101 8.588 1.00 0.00 H new ATOM 1120 N THR A 76 6.684 6.424 12.861 1.00 0.00 N ATOM 1121 CA THR A 76 7.743 5.918 13.725 1.00 0.00 C ATOM 1122 C THR A 76 9.113 6.102 13.081 1.00 0.00 C ATOM 1123 O THR A 76 9.218 6.326 11.876 1.00 0.00 O ATOM 1124 CB THR A 76 7.538 4.427 14.050 1.00 0.00 C ATOM 1125 OG1 THR A 76 8.557 3.977 14.950 1.00 0.00 O ATOM 1126 CG2 THR A 76 7.567 3.587 12.782 1.00 0.00 C ATOM 0 H THR A 76 6.664 6.008 11.930 1.00 0.00 H new ATOM 0 HA THR A 76 7.699 6.494 14.650 1.00 0.00 H new ATOM 0 HB THR A 76 6.562 4.312 14.520 1.00 0.00 H new ATOM 0 HG1 THR A 76 8.418 3.028 15.153 1.00 0.00 H new ATOM 0 HG21 THR A 76 7.420 2.538 13.037 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.771 3.912 12.112 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.531 3.709 12.287 1.00 0.00 H new ATOM 1134 N GLY A 77 10.161 6.006 13.893 1.00 0.00 N ATOM 1135 CA GLY A 77 11.511 6.164 13.384 1.00 0.00 C ATOM 1136 C GLY A 77 11.708 7.483 12.662 1.00 0.00 C ATOM 1137 O GLY A 77 10.999 8.455 12.925 1.00 0.00 O ATOM 0 H GLY A 77 10.099 5.822 14.894 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.218 6.097 14.211 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.738 5.343 12.703 1.00 0.00 H new ATOM 1141 N LYS A 78 12.674 7.518 11.751 1.00 0.00 N ATOM 1142 CA LYS A 78 12.964 8.727 10.989 1.00 0.00 C ATOM 1143 C LYS A 78 12.297 8.679 9.618 1.00 0.00 C ATOM 1144 O LYS A 78 11.606 9.615 9.220 1.00 0.00 O ATOM 1145 CB LYS A 78 14.475 8.903 10.828 1.00 0.00 C ATOM 1146 CG LYS A 78 14.859 10.038 9.894 1.00 0.00 C ATOM 1147 CD LYS A 78 16.348 10.033 9.593 1.00 0.00 C ATOM 1148 CE LYS A 78 17.126 10.853 10.611 1.00 0.00 C ATOM 1149 NZ LYS A 78 17.006 12.315 10.353 1.00 0.00 N ATOM 0 H LYS A 78 13.270 6.722 11.522 1.00 0.00 H new ATOM 0 HA LYS A 78 12.562 9.578 11.539 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.918 9.084 11.807 1.00 0.00 H new ATOM 0 HB3 LYS A 78 14.903 7.974 10.452 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.298 9.950 8.963 1.00 0.00 H new ATOM 0 HG3 LYS A 78 14.581 10.991 10.344 1.00 0.00 H new ATOM 0 HD2 LYS A 78 16.717 9.007 9.593 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.520 10.434 8.594 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.760 10.630 11.613 1.00 0.00 H new ATOM 0 HE3 LYS A 78 18.177 10.564 10.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.617 12.836 11.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.299 12.520 9.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.018 12.611 10.488 1.00 0.00 H new ATOM 1163 N ASN A 79 12.509 7.580 8.901 1.00 0.00 N ATOM 1164 CA ASN A 79 11.928 7.410 7.574 1.00 0.00 C ATOM 1165 C ASN A 79 10.976 6.218 7.546 1.00 0.00 C ATOM 1166 O ASN A 79 10.638 5.705 6.481 1.00 0.00 O ATOM 1167 CB ASN A 79 13.032 7.219 6.532 1.00 0.00 C ATOM 1168 CG ASN A 79 13.900 6.010 6.823 1.00 0.00 C ATOM 1169 OD1 ASN A 79 13.667 5.284 7.790 1.00 0.00 O ATOM 1170 ND2 ASN A 79 14.907 5.789 5.986 1.00 0.00 N ATOM 0 H ASN A 79 13.078 6.795 9.216 1.00 0.00 H new ATOM 0 HA ASN A 79 11.362 8.310 7.334 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.582 7.110 5.545 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.656 8.112 6.501 1.00 0.00 H new ATOM 0 HD21 ASN A 79 15.525 4.991 6.131 1.00 0.00 H new ATOM 0 HD22 ASN A 79 15.062 6.417 5.198 1.00 0.00 H new ATOM 1177 N ASN A 80 10.545 5.784 8.727 1.00 0.00 N ATOM 1178 CA ASN A 80 9.631 4.653 8.838 1.00 0.00 C ATOM 1179 C ASN A 80 8.182 5.127 8.881 1.00 0.00 C ATOM 1180 O ASN A 80 7.861 6.118 9.538 1.00 0.00 O ATOM 1181 CB ASN A 80 9.950 3.835 10.092 1.00 0.00 C ATOM 1182 CG ASN A 80 11.246 3.058 9.961 1.00 0.00 C ATOM 1183 OD1 ASN A 80 11.296 2.019 9.304 1.00 0.00 O ATOM 1184 ND2 ASN A 80 12.302 3.561 10.589 1.00 0.00 N ATOM 0 H ASN A 80 10.814 6.198 9.619 1.00 0.00 H new ATOM 0 HA ASN A 80 9.762 4.023 7.958 1.00 0.00 H new ATOM 0 HB2 ASN A 80 10.015 4.503 10.951 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.132 3.142 10.288 1.00 0.00 H new ATOM 0 HD21 ASN A 80 13.201 3.083 10.538 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.214 4.426 11.123 1.00 0.00 H new ATOM 1191 N VAL A 81 7.310 4.412 8.178 1.00 0.00 N ATOM 1192 CA VAL A 81 5.894 4.758 8.137 1.00 0.00 C ATOM 1193 C VAL A 81 5.023 3.542 8.432 1.00 0.00 C ATOM 1194 O VAL A 81 4.852 2.666 7.583 1.00 0.00 O ATOM 1195 CB VAL A 81 5.498 5.339 6.766 1.00 0.00 C ATOM 1196 CG1 VAL A 81 4.004 5.621 6.717 1.00 0.00 C ATOM 1197 CG2 VAL A 81 6.297 6.600 6.472 1.00 0.00 C ATOM 0 H VAL A 81 7.559 3.589 7.629 1.00 0.00 H new ATOM 0 HA VAL A 81 5.730 5.514 8.905 1.00 0.00 H new ATOM 0 HB VAL A 81 5.729 4.602 5.997 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.743 6.031 5.741 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.453 4.695 6.881 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.744 6.340 7.494 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.005 6.997 5.500 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.098 7.345 7.243 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.361 6.363 6.462 1.00 0.00 H new ATOM 1207 N LEU A 82 4.473 3.495 9.640 1.00 0.00 N ATOM 1208 CA LEU A 82 3.617 2.387 10.049 1.00 0.00 C ATOM 1209 C LEU A 82 2.165 2.649 9.663 1.00 0.00 C ATOM 1210 O LEU A 82 1.697 3.787 9.706 1.00 0.00 O ATOM 1211 CB LEU A 82 3.724 2.164 11.558 1.00 0.00 C ATOM 1212 CG LEU A 82 3.474 0.736 12.045 1.00 0.00 C ATOM 1213 CD1 LEU A 82 4.570 -0.196 11.551 1.00 0.00 C ATOM 1214 CD2 LEU A 82 3.385 0.698 13.563 1.00 0.00 C ATOM 0 H LEU A 82 4.605 4.212 10.354 1.00 0.00 H new ATOM 0 HA LEU A 82 3.954 1.489 9.531 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.720 2.467 11.880 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.014 2.825 12.054 1.00 0.00 H new ATOM 0 HG LEU A 82 2.523 0.395 11.636 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.375 -1.208 11.907 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.587 -0.192 10.461 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.534 0.143 11.930 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.207 -0.326 13.892 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.320 1.059 13.991 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.564 1.334 13.895 1.00 0.00 H new ATOM 1226 N ILE A 83 1.457 1.589 9.289 1.00 0.00 N ATOM 1227 CA ILE A 83 0.057 1.705 8.899 1.00 0.00 C ATOM 1228 C ILE A 83 -0.669 0.373 9.056 1.00 0.00 C ATOM 1229 O ILE A 83 -0.064 -0.693 8.943 1.00 0.00 O ATOM 1230 CB ILE A 83 -0.085 2.186 7.443 1.00 0.00 C ATOM 1231 CG1 ILE A 83 0.669 1.248 6.498 1.00 0.00 C ATOM 1232 CG2 ILE A 83 0.428 3.611 7.304 1.00 0.00 C ATOM 1233 CD1 ILE A 83 0.179 1.309 5.068 1.00 0.00 C ATOM 0 H ILE A 83 1.829 0.640 9.248 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.395 2.443 9.562 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.141 2.173 7.172 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.730 1.498 6.521 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.575 0.225 6.863 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.321 3.937 6.269 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.148 4.270 7.953 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.479 3.649 7.589 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.758 0.619 4.455 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.874 1.030 5.032 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.299 2.322 4.685 1.00 0.00 H new ATOM 1245 N VAL A 84 -1.971 0.442 9.314 1.00 0.00 N ATOM 1246 CA VAL A 84 -2.782 -0.759 9.483 1.00 0.00 C ATOM 1247 C VAL A 84 -3.736 -0.947 8.309 1.00 0.00 C ATOM 1248 O VAL A 84 -4.629 -0.130 8.085 1.00 0.00 O ATOM 1249 CB VAL A 84 -3.596 -0.707 10.789 1.00 0.00 C ATOM 1250 CG1 VAL A 84 -4.285 -2.039 11.043 1.00 0.00 C ATOM 1251 CG2 VAL A 84 -2.702 -0.328 11.960 1.00 0.00 C ATOM 0 H VAL A 84 -2.487 1.316 9.411 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.093 -1.603 9.526 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.365 0.059 10.686 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.855 -1.983 11.970 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.958 -2.264 10.216 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.536 -2.826 11.125 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.294 -0.296 12.875 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.909 -1.068 12.067 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.261 0.652 11.779 1.00 0.00 H new ATOM 1261 N CYS A 85 -3.540 -2.029 7.563 1.00 0.00 N ATOM 1262 CA CYS A 85 -4.384 -2.326 6.411 1.00 0.00 C ATOM 1263 C CYS A 85 -4.380 -3.820 6.104 1.00 0.00 C ATOM 1264 O CYS A 85 -3.417 -4.524 6.409 1.00 0.00 O ATOM 1265 CB CYS A 85 -3.906 -1.541 5.188 1.00 0.00 C ATOM 1266 SG CYS A 85 -2.265 -2.019 4.598 1.00 0.00 S ATOM 0 H CYS A 85 -2.805 -2.715 7.735 1.00 0.00 H new ATOM 0 HA CYS A 85 -5.404 -2.026 6.652 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -4.624 -1.676 4.380 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -3.897 -0.479 5.432 1.00 0.00 H new ATOM 0 HG CYS A 85 -1.948 -3.180 5.090 1.00 0.00 H new ATOM 1272 N VAL A 86 -5.463 -4.298 5.501 1.00 0.00 N ATOM 1273 CA VAL A 86 -5.585 -5.708 5.153 1.00 0.00 C ATOM 1274 C VAL A 86 -4.625 -6.083 4.030 1.00 0.00 C ATOM 1275 O VAL A 86 -4.672 -5.532 2.930 1.00 0.00 O ATOM 1276 CB VAL A 86 -7.023 -6.058 4.724 1.00 0.00 C ATOM 1277 CG1 VAL A 86 -7.115 -7.518 4.306 1.00 0.00 C ATOM 1278 CG2 VAL A 86 -8.003 -5.753 5.846 1.00 0.00 C ATOM 0 H VAL A 86 -6.269 -3.729 5.243 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.332 -6.277 6.047 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.288 -5.442 3.865 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.138 -7.747 4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.442 -7.700 3.468 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.831 -8.155 5.144 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.014 -6.006 5.525 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.743 -6.342 6.726 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.956 -4.692 6.092 1.00 0.00 H new ATOM 1288 N PRO A 87 -3.732 -7.044 4.310 1.00 0.00 N ATOM 1289 CA PRO A 87 -2.744 -7.515 3.336 1.00 0.00 C ATOM 1290 C PRO A 87 -3.383 -8.304 2.198 1.00 0.00 C ATOM 1291 O PRO A 87 -4.005 -9.341 2.423 1.00 0.00 O ATOM 1292 CB PRO A 87 -1.830 -8.419 4.166 1.00 0.00 C ATOM 1293 CG PRO A 87 -2.680 -8.880 5.299 1.00 0.00 C ATOM 1294 CD PRO A 87 -3.619 -7.744 5.601 1.00 0.00 C ATOM 0 HA PRO A 87 -2.223 -6.689 2.852 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.465 -9.260 3.577 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.955 -7.876 4.523 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.231 -9.782 5.032 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -2.071 -9.125 6.169 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.587 -8.104 5.949 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.223 -7.091 6.379 1.00 0.00 H new ATOM 1302 N ASN A 88 -3.223 -7.807 0.976 1.00 0.00 N ATOM 1303 CA ASN A 88 -3.784 -8.466 -0.197 1.00 0.00 C ATOM 1304 C ASN A 88 -2.684 -8.863 -1.177 1.00 0.00 C ATOM 1305 O ASN A 88 -1.956 -8.023 -1.705 1.00 0.00 O ATOM 1306 CB ASN A 88 -4.793 -7.548 -0.891 1.00 0.00 C ATOM 1307 CG ASN A 88 -5.702 -8.301 -1.842 1.00 0.00 C ATOM 1308 OD1 ASN A 88 -6.451 -9.188 -1.431 1.00 0.00 O ATOM 1309 ND2 ASN A 88 -5.640 -7.952 -3.121 1.00 0.00 N ATOM 0 H ASN A 88 -2.709 -6.950 0.772 1.00 0.00 H new ATOM 0 HA ASN A 88 -4.294 -9.370 0.135 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -5.398 -7.043 -0.138 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.257 -6.774 -1.441 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -6.228 -8.425 -3.808 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -5.005 -7.211 -3.417 1.00 0.00 H new ATOM 1316 N PRO A 89 -2.559 -10.175 -1.426 1.00 0.00 N ATOM 1317 CA PRO A 89 -3.419 -11.185 -0.802 1.00 0.00 C ATOM 1318 C PRO A 89 -3.141 -11.342 0.689 1.00 0.00 C ATOM 1319 O PRO A 89 -2.158 -10.826 1.219 1.00 0.00 O ATOM 1320 CB PRO A 89 -3.058 -12.470 -1.551 1.00 0.00 C ATOM 1321 CG PRO A 89 -1.670 -12.245 -2.042 1.00 0.00 C ATOM 1322 CD PRO A 89 -1.568 -10.774 -2.335 1.00 0.00 C ATOM 0 HA PRO A 89 -4.474 -10.919 -0.868 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -3.110 -13.339 -0.895 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.745 -12.653 -2.377 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.938 -12.545 -1.293 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.472 -12.836 -2.936 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.565 -10.395 -2.142 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -1.796 -10.555 -3.378 1.00 0.00 H new ATOM 1330 N PRO A 90 -4.027 -12.072 1.383 1.00 0.00 N ATOM 1331 CA PRO A 90 -3.898 -12.314 2.823 1.00 0.00 C ATOM 1332 C PRO A 90 -2.731 -13.238 3.153 1.00 0.00 C ATOM 1333 O PRO A 90 -2.813 -14.451 2.957 1.00 0.00 O ATOM 1334 CB PRO A 90 -5.227 -12.979 3.192 1.00 0.00 C ATOM 1335 CG PRO A 90 -5.698 -13.611 1.928 1.00 0.00 C ATOM 1336 CD PRO A 90 -5.223 -12.717 0.816 1.00 0.00 C ATOM 0 HA PRO A 90 -3.698 -11.395 3.374 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.093 -13.721 3.980 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -5.946 -12.248 3.561 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.293 -14.617 1.820 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.784 -13.702 1.918 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.985 -13.286 -0.083 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.981 -11.984 0.538 1.00 0.00 H new ATOM 1344 N ILE A 91 -1.646 -12.658 3.654 1.00 0.00 N ATOM 1345 CA ILE A 91 -0.463 -13.431 4.012 1.00 0.00 C ATOM 1346 C ILE A 91 -0.832 -14.634 4.872 1.00 0.00 C ATOM 1347 O ILE A 91 -0.317 -15.735 4.671 1.00 0.00 O ATOM 1348 CB ILE A 91 0.565 -12.569 4.769 1.00 0.00 C ATOM 1349 CG1 ILE A 91 0.947 -11.343 3.937 1.00 0.00 C ATOM 1350 CG2 ILE A 91 1.799 -13.391 5.108 1.00 0.00 C ATOM 1351 CD1 ILE A 91 1.350 -10.147 4.772 1.00 0.00 C ATOM 0 H ILE A 91 -1.561 -11.655 3.821 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.018 -13.777 3.079 1.00 0.00 H new ATOM 0 HB ILE A 91 0.114 -12.226 5.700 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.771 -11.607 3.273 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.104 -11.066 3.304 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.516 -12.768 5.643 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.513 -14.235 5.736 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.254 -13.760 4.189 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.607 -9.315 4.116 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.520 -9.857 5.417 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.213 -10.406 5.386 1.00 0.00 H new ATOM 1363 N ASP A 92 -1.728 -14.419 5.828 1.00 0.00 N ATOM 1364 CA ASP A 92 -2.169 -15.487 6.718 1.00 0.00 C ATOM 1365 C ASP A 92 -3.598 -15.911 6.390 1.00 0.00 C ATOM 1366 O ASP A 92 -4.243 -15.330 5.518 1.00 0.00 O ATOM 1367 CB ASP A 92 -2.080 -15.035 8.176 1.00 0.00 C ATOM 1368 CG ASP A 92 -0.689 -15.212 8.753 1.00 0.00 C ATOM 1369 OD1 ASP A 92 0.218 -14.447 8.362 1.00 0.00 O ATOM 1370 OD2 ASP A 92 -0.507 -16.115 9.596 1.00 0.00 O ATOM 0 H ASP A 92 -2.164 -13.514 6.007 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.511 -16.344 6.571 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -2.369 -13.986 8.247 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -2.793 -15.603 8.774 1.00 0.00 H new ATOM 1375 N GLU A 93 -4.084 -16.927 7.096 1.00 0.00 N ATOM 1376 CA GLU A 93 -5.436 -17.430 6.878 1.00 0.00 C ATOM 1377 C GLU A 93 -6.294 -17.241 8.125 1.00 0.00 C ATOM 1378 O GLU A 93 -7.492 -16.972 8.034 1.00 0.00 O ATOM 1379 CB GLU A 93 -5.397 -18.910 6.491 1.00 0.00 C ATOM 1380 CG GLU A 93 -6.758 -19.584 6.529 1.00 0.00 C ATOM 1381 CD GLU A 93 -6.672 -21.083 6.318 1.00 0.00 C ATOM 1382 OE1 GLU A 93 -5.995 -21.509 5.359 1.00 0.00 O ATOM 1383 OE2 GLU A 93 -7.282 -21.831 7.111 1.00 0.00 O ATOM 0 H GLU A 93 -3.563 -17.418 7.823 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.881 -16.860 6.062 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -4.982 -19.004 5.487 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.721 -19.436 7.166 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.232 -19.383 7.489 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.397 -19.149 5.760 1.00 0.00 H new ATOM 1390 N LYS A 94 -5.673 -17.384 9.291 1.00 0.00 N ATOM 1391 CA LYS A 94 -6.377 -17.229 10.558 1.00 0.00 C ATOM 1392 C LYS A 94 -6.793 -15.778 10.775 1.00 0.00 C ATOM 1393 O LYS A 94 -7.979 -15.473 10.889 1.00 0.00 O ATOM 1394 CB LYS A 94 -5.493 -17.696 11.717 1.00 0.00 C ATOM 1395 CG LYS A 94 -5.364 -19.207 11.812 1.00 0.00 C ATOM 1396 CD LYS A 94 -4.358 -19.745 10.808 1.00 0.00 C ATOM 1397 CE LYS A 94 -4.165 -21.246 10.962 1.00 0.00 C ATOM 1398 NZ LYS A 94 -3.243 -21.574 12.084 1.00 0.00 N ATOM 0 H LYS A 94 -4.682 -17.607 9.384 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.276 -17.845 10.523 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.500 -17.261 11.604 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.903 -17.315 12.652 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.057 -19.484 12.820 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.336 -19.668 11.637 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.697 -19.523 9.796 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.402 -19.239 10.942 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.131 -21.721 11.135 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.769 -21.658 10.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.138 -22.606 12.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.313 -21.142 11.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.633 -21.203 12.974 1.00 0.00 H new ATOM 1412 N ASN A 95 -5.808 -14.887 10.831 1.00 0.00 N ATOM 1413 CA ASN A 95 -6.073 -13.467 11.033 1.00 0.00 C ATOM 1414 C ASN A 95 -6.232 -12.747 9.698 1.00 0.00 C ATOM 1415 O ASN A 95 -6.137 -11.522 9.626 1.00 0.00 O ATOM 1416 CB ASN A 95 -4.941 -12.826 11.839 1.00 0.00 C ATOM 1417 CG ASN A 95 -4.899 -13.321 13.272 1.00 0.00 C ATOM 1418 OD1 ASN A 95 -5.934 -13.452 13.926 1.00 0.00 O ATOM 1419 ND2 ASN A 95 -3.698 -13.598 13.767 1.00 0.00 N ATOM 0 H ASN A 95 -4.820 -15.123 10.739 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.006 -13.373 11.589 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -3.988 -13.040 11.355 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -5.064 -11.743 11.835 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -3.607 -13.934 14.726 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -2.867 -13.475 13.188 1.00 0.00 H new ATOM 1426 N ALA A 96 -6.475 -13.517 8.642 1.00 0.00 N ATOM 1427 CA ALA A 96 -6.650 -12.954 7.309 1.00 0.00 C ATOM 1428 C ALA A 96 -7.640 -11.793 7.330 1.00 0.00 C ATOM 1429 O ALA A 96 -7.276 -10.648 7.059 1.00 0.00 O ATOM 1430 CB ALA A 96 -7.115 -14.029 6.339 1.00 0.00 C ATOM 0 H ALA A 96 -6.555 -14.533 8.684 1.00 0.00 H new ATOM 0 HA ALA A 96 -5.686 -12.570 6.974 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.242 -13.594 5.347 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.372 -14.825 6.294 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.066 -14.439 6.679 1.00 0.00 H new ATOM 1436 N THR A 97 -8.893 -12.096 7.652 1.00 0.00 N ATOM 1437 CA THR A 97 -9.936 -11.079 7.706 1.00 0.00 C ATOM 1438 C THR A 97 -9.421 -9.798 8.351 1.00 0.00 C ATOM 1439 O THR A 97 -9.596 -8.706 7.812 1.00 0.00 O ATOM 1440 CB THR A 97 -11.166 -11.576 8.488 1.00 0.00 C ATOM 1441 OG1 THR A 97 -10.763 -12.081 9.766 1.00 0.00 O ATOM 1442 CG2 THR A 97 -11.896 -12.663 7.714 1.00 0.00 C ATOM 0 H THR A 97 -9.211 -13.038 7.880 1.00 0.00 H new ATOM 0 HA THR A 97 -10.229 -10.872 6.677 1.00 0.00 H new ATOM 0 HB THR A 97 -11.844 -10.734 8.628 1.00 0.00 H new ATOM 0 HG1 THR A 97 -11.551 -12.393 10.258 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.761 -12.998 8.286 1.00 0.00 H new ATOM 0 HG22 THR A 97 -12.227 -12.266 6.754 1.00 0.00 H new ATOM 0 HG23 THR A 97 -11.224 -13.504 7.546 1.00 0.00 H new ATOM 1450 N MET A 98 -8.784 -9.939 9.509 1.00 0.00 N ATOM 1451 CA MET A 98 -8.241 -8.791 10.227 1.00 0.00 C ATOM 1452 C MET A 98 -6.946 -8.308 9.582 1.00 0.00 C ATOM 1453 O MET A 98 -6.144 -9.095 9.079 1.00 0.00 O ATOM 1454 CB MET A 98 -7.991 -9.151 11.693 1.00 0.00 C ATOM 1455 CG MET A 98 -9.170 -8.848 12.603 1.00 0.00 C ATOM 1456 SD MET A 98 -8.711 -8.819 14.347 1.00 0.00 S ATOM 1457 CE MET A 98 -7.488 -7.511 14.354 1.00 0.00 C ATOM 0 H MET A 98 -8.631 -10.836 9.970 1.00 0.00 H new ATOM 0 HA MET A 98 -8.973 -7.985 10.178 1.00 0.00 H new ATOM 0 HB2 MET A 98 -7.753 -10.212 11.762 1.00 0.00 H new ATOM 0 HB3 MET A 98 -7.118 -8.604 12.049 1.00 0.00 H new ATOM 0 HG2 MET A 98 -9.598 -7.884 12.328 1.00 0.00 H new ATOM 0 HG3 MET A 98 -9.946 -9.598 12.448 1.00 0.00 H new ATOM 0 HE1 MET A 98 -7.603 -6.910 15.256 1.00 0.00 H new ATOM 0 HE2 MET A 98 -6.489 -7.947 14.333 1.00 0.00 H new ATOM 0 HE3 MET A 98 -7.627 -6.879 13.477 1.00 0.00 H new ATOM 1467 N PRO A 99 -6.736 -6.984 9.594 1.00 0.00 N ATOM 1468 CA PRO A 99 -5.539 -6.367 9.014 1.00 0.00 C ATOM 1469 C PRO A 99 -4.281 -6.673 9.818 1.00 0.00 C ATOM 1470 O PRO A 99 -4.354 -7.204 10.927 1.00 0.00 O ATOM 1471 CB PRO A 99 -5.853 -4.869 9.061 1.00 0.00 C ATOM 1472 CG PRO A 99 -6.833 -4.723 10.174 1.00 0.00 C ATOM 1473 CD PRO A 99 -7.649 -5.986 10.176 1.00 0.00 C ATOM 0 HA PRO A 99 -5.333 -6.742 8.011 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -4.954 -4.281 9.246 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -6.272 -4.522 8.116 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -6.323 -4.587 11.128 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -7.467 -3.849 10.024 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.957 -6.263 11.184 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.557 -5.878 9.583 1.00 0.00 H new ATOM 1481 N VAL A 100 -3.126 -6.335 9.254 1.00 0.00 N ATOM 1482 CA VAL A 100 -1.851 -6.572 9.920 1.00 0.00 C ATOM 1483 C VAL A 100 -0.988 -5.316 9.919 1.00 0.00 C ATOM 1484 O VAL A 100 -1.109 -4.466 9.036 1.00 0.00 O ATOM 1485 CB VAL A 100 -1.071 -7.718 9.248 1.00 0.00 C ATOM 1486 CG1 VAL A 100 -1.982 -8.912 9.002 1.00 0.00 C ATOM 1487 CG2 VAL A 100 -0.441 -7.242 7.948 1.00 0.00 C ATOM 0 H VAL A 100 -3.047 -5.896 8.337 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.079 -6.852 10.949 1.00 0.00 H new ATOM 0 HB VAL A 100 -0.272 -8.033 9.919 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.414 -9.712 8.527 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.382 -9.266 9.952 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.804 -8.615 8.351 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.106 -8.064 7.486 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.222 -6.900 7.269 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.245 -6.421 8.155 1.00 0.00 H new ATOM 1497 N THR A 101 -0.114 -5.203 10.915 1.00 0.00 N ATOM 1498 CA THR A 101 0.770 -4.050 11.029 1.00 0.00 C ATOM 1499 C THR A 101 1.818 -4.048 9.922 1.00 0.00 C ATOM 1500 O THR A 101 2.748 -4.854 9.935 1.00 0.00 O ATOM 1501 CB THR A 101 1.482 -4.022 12.395 1.00 0.00 C ATOM 1502 OG1 THR A 101 0.516 -3.944 13.449 1.00 0.00 O ATOM 1503 CG2 THR A 101 2.434 -2.839 12.484 1.00 0.00 C ATOM 0 H THR A 101 0.000 -5.896 11.654 1.00 0.00 H new ATOM 0 HA THR A 101 0.145 -3.162 10.934 1.00 0.00 H new ATOM 0 HB THR A 101 2.059 -4.941 12.499 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.976 -3.928 14.314 1.00 0.00 H new ATOM 0 HG21 THR A 101 2.925 -2.840 13.457 1.00 0.00 H new ATOM 0 HG22 THR A 101 3.185 -2.917 11.698 1.00 0.00 H new ATOM 0 HG23 THR A 101 1.875 -1.912 12.361 1.00 0.00 H new ATOM 1511 N MET A 102 1.661 -3.138 8.967 1.00 0.00 N ATOM 1512 CA MET A 102 2.596 -3.031 7.853 1.00 0.00 C ATOM 1513 C MET A 102 3.466 -1.786 7.992 1.00 0.00 C ATOM 1514 O MET A 102 2.973 -0.704 8.314 1.00 0.00 O ATOM 1515 CB MET A 102 1.838 -2.993 6.525 1.00 0.00 C ATOM 1516 CG MET A 102 1.072 -4.271 6.226 1.00 0.00 C ATOM 1517 SD MET A 102 0.703 -4.465 4.471 1.00 0.00 S ATOM 1518 CE MET A 102 1.799 -5.815 4.042 1.00 0.00 C ATOM 0 H MET A 102 0.896 -2.464 8.942 1.00 0.00 H new ATOM 0 HA MET A 102 3.243 -3.908 7.868 1.00 0.00 H new ATOM 0 HB2 MET A 102 1.140 -2.156 6.538 1.00 0.00 H new ATOM 0 HB3 MET A 102 2.546 -2.806 5.717 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.654 -5.127 6.568 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.140 -4.272 6.792 1.00 0.00 H new ATOM 0 HE1 MET A 102 1.988 -5.803 2.969 1.00 0.00 H new ATOM 0 HE2 MET A 102 2.741 -5.703 4.578 1.00 0.00 H new ATOM 0 HE3 MET A 102 1.335 -6.762 4.318 1.00 0.00 H new ATOM 1528 N LEU A 103 4.762 -1.945 7.747 1.00 0.00 N ATOM 1529 CA LEU A 103 5.701 -0.833 7.845 1.00 0.00 C ATOM 1530 C LEU A 103 6.319 -0.520 6.486 1.00 0.00 C ATOM 1531 O LEU A 103 6.606 -1.425 5.701 1.00 0.00 O ATOM 1532 CB LEU A 103 6.803 -1.157 8.856 1.00 0.00 C ATOM 1533 CG LEU A 103 7.445 0.041 9.556 1.00 0.00 C ATOM 1534 CD1 LEU A 103 7.949 -0.354 10.936 1.00 0.00 C ATOM 1535 CD2 LEU A 103 8.580 0.606 8.714 1.00 0.00 C ATOM 0 H LEU A 103 5.186 -2.833 7.479 1.00 0.00 H new ATOM 0 HA LEU A 103 5.151 0.045 8.185 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.387 -1.817 9.617 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.586 -1.715 8.343 1.00 0.00 H new ATOM 0 HG LEU A 103 6.688 0.816 9.676 1.00 0.00 H new ATOM 0 HD11 LEU A 103 8.403 0.511 11.419 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.115 -0.711 11.540 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.691 -1.146 10.839 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.025 1.458 9.228 1.00 0.00 H new ATOM 0 HD22 LEU A 103 9.338 -0.163 8.562 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.191 0.928 7.748 1.00 0.00 H new ATOM 1547 N ILE A 104 6.522 0.765 6.215 1.00 0.00 N ATOM 1548 CA ILE A 104 7.109 1.196 4.952 1.00 0.00 C ATOM 1549 C ILE A 104 8.453 1.881 5.176 1.00 0.00 C ATOM 1550 O ILE A 104 8.588 2.733 6.054 1.00 0.00 O ATOM 1551 CB ILE A 104 6.174 2.158 4.197 1.00 0.00 C ATOM 1552 CG1 ILE A 104 4.828 1.485 3.921 1.00 0.00 C ATOM 1553 CG2 ILE A 104 6.821 2.613 2.897 1.00 0.00 C ATOM 1554 CD1 ILE A 104 3.670 2.456 3.852 1.00 0.00 C ATOM 0 H ILE A 104 6.289 1.526 6.853 1.00 0.00 H new ATOM 0 HA ILE A 104 7.257 0.299 4.350 1.00 0.00 H new ATOM 0 HB ILE A 104 5.999 3.035 4.820 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.890 0.939 2.980 1.00 0.00 H new ATOM 0 HG13 ILE A 104 4.631 0.752 4.703 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.148 3.293 2.374 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.757 3.127 3.117 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.022 1.746 2.268 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.748 1.909 3.654 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.581 2.985 4.801 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.845 3.175 3.051 1.00 0.00 H new ATOM 1566 N ARG A 105 9.444 1.503 4.375 1.00 0.00 N ATOM 1567 CA ARG A 105 10.777 2.082 4.484 1.00 0.00 C ATOM 1568 C ARG A 105 11.196 2.736 3.171 1.00 0.00 C ATOM 1569 O ARG A 105 11.504 2.052 2.195 1.00 0.00 O ATOM 1570 CB ARG A 105 11.792 1.006 4.877 1.00 0.00 C ATOM 1571 CG ARG A 105 13.206 1.537 5.051 1.00 0.00 C ATOM 1572 CD ARG A 105 13.464 1.973 6.485 1.00 0.00 C ATOM 1573 NE ARG A 105 13.997 0.885 7.300 1.00 0.00 N ATOM 1574 CZ ARG A 105 15.286 0.568 7.351 1.00 0.00 C ATOM 1575 NH1 ARG A 105 16.170 1.254 6.638 1.00 0.00 N ATOM 1576 NH2 ARG A 105 15.694 -0.436 8.117 1.00 0.00 N ATOM 0 H ARG A 105 9.349 0.798 3.644 1.00 0.00 H new ATOM 0 HA ARG A 105 10.751 2.848 5.259 1.00 0.00 H new ATOM 0 HB2 ARG A 105 11.471 0.539 5.808 1.00 0.00 H new ATOM 0 HB3 ARG A 105 11.797 0.227 4.115 1.00 0.00 H new ATOM 0 HG2 ARG A 105 13.923 0.766 4.769 1.00 0.00 H new ATOM 0 HG3 ARG A 105 13.365 2.380 4.379 1.00 0.00 H new ATOM 0 HD2 ARG A 105 14.166 2.807 6.490 1.00 0.00 H new ATOM 0 HD3 ARG A 105 12.536 2.335 6.926 1.00 0.00 H new ATOM 0 HE ARG A 105 13.344 0.338 7.861 1.00 0.00 H new ATOM 0 HH11 ARG A 105 15.860 2.027 6.049 1.00 0.00 H new ATOM 0 HH12 ARG A 105 17.159 1.008 6.679 1.00 0.00 H new ATOM 0 HH21 ARG A 105 15.018 -0.965 8.667 1.00 0.00 H new ATOM 0 HH22 ARG A 105 16.684 -0.679 8.155 1.00 0.00 H new ATOM 1590 N VAL A 106 11.204 4.065 3.154 1.00 0.00 N ATOM 1591 CA VAL A 106 11.585 4.812 1.961 1.00 0.00 C ATOM 1592 C VAL A 106 13.094 5.019 1.901 1.00 0.00 C ATOM 1593 O VAL A 106 13.804 4.780 2.878 1.00 0.00 O ATOM 1594 CB VAL A 106 10.887 6.185 1.912 1.00 0.00 C ATOM 1595 CG1 VAL A 106 11.405 7.087 3.022 1.00 0.00 C ATOM 1596 CG2 VAL A 106 11.084 6.833 0.550 1.00 0.00 C ATOM 0 H VAL A 106 10.951 4.647 3.953 1.00 0.00 H new ATOM 0 HA VAL A 106 11.268 4.220 1.102 1.00 0.00 H new ATOM 0 HB VAL A 106 9.818 6.037 2.067 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.901 8.052 2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 106 11.207 6.624 3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 106 12.479 7.232 2.902 1.00 0.00 H new ATOM 0 HG21 VAL A 106 10.585 7.802 0.532 1.00 0.00 H new ATOM 0 HG22 VAL A 106 12.149 6.970 0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 106 10.660 6.192 -0.223 1.00 0.00 H new ATOM 1606 N LYS A 107 13.579 5.466 0.748 1.00 0.00 N ATOM 1607 CA LYS A 107 15.004 5.708 0.559 1.00 0.00 C ATOM 1608 C LYS A 107 15.479 6.868 1.428 1.00 0.00 C ATOM 1609 O LYS A 107 16.437 6.735 2.190 1.00 0.00 O ATOM 1610 CB LYS A 107 15.301 6.004 -0.913 1.00 0.00 C ATOM 1611 CG LYS A 107 16.734 6.439 -1.169 1.00 0.00 C ATOM 1612 CD LYS A 107 17.640 5.247 -1.432 1.00 0.00 C ATOM 1613 CE LYS A 107 19.094 5.672 -1.567 1.00 0.00 C ATOM 1614 NZ LYS A 107 19.856 4.761 -2.466 1.00 0.00 N ATOM 0 H LYS A 107 13.005 5.668 -0.071 1.00 0.00 H new ATOM 0 HA LYS A 107 15.543 4.809 0.858 1.00 0.00 H new ATOM 0 HB2 LYS A 107 15.090 5.113 -1.504 1.00 0.00 H new ATOM 0 HB3 LYS A 107 14.625 6.785 -1.261 1.00 0.00 H new ATOM 0 HG2 LYS A 107 16.763 7.115 -2.024 1.00 0.00 H new ATOM 0 HG3 LYS A 107 17.105 6.997 -0.309 1.00 0.00 H new ATOM 0 HD2 LYS A 107 17.544 4.529 -0.618 1.00 0.00 H new ATOM 0 HD3 LYS A 107 17.322 4.741 -2.343 1.00 0.00 H new ATOM 0 HE2 LYS A 107 19.141 6.689 -1.956 1.00 0.00 H new ATOM 0 HE3 LYS A 107 19.562 5.686 -0.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 20.842 5.084 -2.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 19.833 3.795 -2.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 19.425 4.767 -3.413 1.00 0.00 H new ATOM 1628 N THR A 108 14.803 8.006 1.309 1.00 0.00 N ATOM 1629 CA THR A 108 15.155 9.189 2.084 1.00 0.00 C ATOM 1630 C THR A 108 13.993 9.637 2.963 1.00 0.00 C ATOM 1631 O THR A 108 12.877 9.830 2.482 1.00 0.00 O ATOM 1632 CB THR A 108 15.572 10.356 1.169 1.00 0.00 C ATOM 1633 OG1 THR A 108 14.486 10.714 0.306 1.00 0.00 O ATOM 1634 CG2 THR A 108 16.787 9.982 0.334 1.00 0.00 C ATOM 0 H THR A 108 14.008 8.133 0.683 1.00 0.00 H new ATOM 0 HA THR A 108 15.999 8.913 2.716 1.00 0.00 H new ATOM 0 HB THR A 108 15.832 11.207 1.799 1.00 0.00 H new ATOM 0 HG1 THR A 108 13.636 10.487 0.738 1.00 0.00 H new ATOM 0 HG21 THR A 108 17.063 10.822 -0.304 1.00 0.00 H new ATOM 0 HG22 THR A 108 17.620 9.738 0.993 1.00 0.00 H new ATOM 0 HG23 THR A 108 16.550 9.118 -0.286 1.00 0.00 H new ATOM 1642 N SER A 109 14.263 9.803 4.254 1.00 0.00 N ATOM 1643 CA SER A 109 13.239 10.226 5.201 1.00 0.00 C ATOM 1644 C SER A 109 12.383 11.344 4.613 1.00 0.00 C ATOM 1645 O SER A 109 11.155 11.269 4.620 1.00 0.00 O ATOM 1646 CB SER A 109 13.883 10.694 6.507 1.00 0.00 C ATOM 1647 OG SER A 109 12.901 11.106 7.441 1.00 0.00 O ATOM 0 H SER A 109 15.183 9.651 4.668 1.00 0.00 H new ATOM 0 HA SER A 109 12.596 9.371 5.408 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.478 9.886 6.933 1.00 0.00 H new ATOM 0 HB3 SER A 109 14.565 11.519 6.304 1.00 0.00 H new ATOM 0 HG SER A 109 12.444 10.319 7.804 1.00 0.00 H new ATOM 1653 N GLU A 110 13.043 12.380 4.104 1.00 0.00 N ATOM 1654 CA GLU A 110 12.343 13.514 3.513 1.00 0.00 C ATOM 1655 C GLU A 110 11.087 13.056 2.778 1.00 0.00 C ATOM 1656 O GLU A 110 10.038 13.696 2.861 1.00 0.00 O ATOM 1657 CB GLU A 110 13.265 14.264 2.549 1.00 0.00 C ATOM 1658 CG GLU A 110 13.686 13.440 1.343 1.00 0.00 C ATOM 1659 CD GLU A 110 14.975 13.936 0.719 1.00 0.00 C ATOM 1660 OE1 GLU A 110 14.915 14.886 -0.090 1.00 0.00 O ATOM 1661 OE2 GLU A 110 16.044 13.375 1.038 1.00 0.00 O ATOM 0 H GLU A 110 14.060 12.457 4.089 1.00 0.00 H new ATOM 0 HA GLU A 110 12.047 14.185 4.319 1.00 0.00 H new ATOM 0 HB2 GLU A 110 12.759 15.166 2.204 1.00 0.00 H new ATOM 0 HB3 GLU A 110 14.156 14.585 3.088 1.00 0.00 H new ATOM 0 HG2 GLU A 110 13.809 12.400 1.644 1.00 0.00 H new ATOM 0 HG3 GLU A 110 12.892 13.464 0.596 1.00 0.00 H new ATOM 1668 N ASP A 111 11.201 11.944 2.060 1.00 0.00 N ATOM 1669 CA ASP A 111 10.075 11.399 1.311 1.00 0.00 C ATOM 1670 C ASP A 111 8.979 10.912 2.255 1.00 0.00 C ATOM 1671 O ASP A 111 7.802 11.216 2.064 1.00 0.00 O ATOM 1672 CB ASP A 111 10.540 10.251 0.414 1.00 0.00 C ATOM 1673 CG ASP A 111 9.446 9.764 -0.517 1.00 0.00 C ATOM 1674 OD1 ASP A 111 8.645 8.906 -0.093 1.00 0.00 O ATOM 1675 OD2 ASP A 111 9.393 10.241 -1.670 1.00 0.00 O ATOM 0 H ASP A 111 12.062 11.403 1.981 1.00 0.00 H new ATOM 0 HA ASP A 111 9.666 12.194 0.688 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.396 10.579 -0.176 1.00 0.00 H new ATOM 0 HB3 ASP A 111 10.880 9.423 1.036 1.00 0.00 H new ATOM 1680 N ALA A 112 9.375 10.154 3.272 1.00 0.00 N ATOM 1681 CA ALA A 112 8.428 9.626 4.245 1.00 0.00 C ATOM 1682 C ALA A 112 7.416 10.689 4.659 1.00 0.00 C ATOM 1683 O ALA A 112 6.213 10.434 4.696 1.00 0.00 O ATOM 1684 CB ALA A 112 9.165 9.093 5.465 1.00 0.00 C ATOM 0 H ALA A 112 10.346 9.892 3.443 1.00 0.00 H new ATOM 0 HA ALA A 112 7.884 8.806 3.776 1.00 0.00 H new ATOM 0 HB1 ALA A 112 8.444 8.702 6.183 1.00 0.00 H new ATOM 0 HB2 ALA A 112 9.843 8.296 5.161 1.00 0.00 H new ATOM 0 HB3 ALA A 112 9.736 9.899 5.926 1.00 0.00 H new ATOM 1690 N ASP A 113 7.913 11.882 4.971 1.00 0.00 N ATOM 1691 CA ASP A 113 7.052 12.985 5.382 1.00 0.00 C ATOM 1692 C ASP A 113 5.927 13.201 4.375 1.00 0.00 C ATOM 1693 O ASP A 113 4.752 13.231 4.739 1.00 0.00 O ATOM 1694 CB ASP A 113 7.869 14.268 5.536 1.00 0.00 C ATOM 1695 CG ASP A 113 7.119 15.345 6.295 1.00 0.00 C ATOM 1696 OD1 ASP A 113 5.876 15.393 6.184 1.00 0.00 O ATOM 1697 OD2 ASP A 113 7.775 16.139 7.001 1.00 0.00 O ATOM 0 H ASP A 113 8.907 12.109 4.947 1.00 0.00 H new ATOM 0 HA ASP A 113 6.609 12.728 6.344 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.800 14.042 6.056 1.00 0.00 H new ATOM 0 HB3 ASP A 113 8.139 14.644 4.549 1.00 0.00 H new ATOM 1702 N GLU A 114 6.296 13.352 3.106 1.00 0.00 N ATOM 1703 CA GLU A 114 5.317 13.567 2.047 1.00 0.00 C ATOM 1704 C GLU A 114 4.371 12.376 1.929 1.00 0.00 C ATOM 1705 O GLU A 114 3.151 12.529 1.987 1.00 0.00 O ATOM 1706 CB GLU A 114 6.023 13.806 0.711 1.00 0.00 C ATOM 1707 CG GLU A 114 5.107 14.351 -0.373 1.00 0.00 C ATOM 1708 CD GLU A 114 5.865 15.082 -1.464 1.00 0.00 C ATOM 1709 OE1 GLU A 114 6.981 14.640 -1.810 1.00 0.00 O ATOM 1710 OE2 GLU A 114 5.341 16.095 -1.972 1.00 0.00 O ATOM 0 H GLU A 114 7.265 13.329 2.787 1.00 0.00 H new ATOM 0 HA GLU A 114 4.731 14.449 2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.846 14.504 0.864 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.460 12.868 0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.544 13.529 -0.815 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.381 15.029 0.077 1.00 0.00 H new ATOM 1717 N LEU A 115 4.944 11.188 1.764 1.00 0.00 N ATOM 1718 CA LEU A 115 4.153 9.969 1.637 1.00 0.00 C ATOM 1719 C LEU A 115 3.035 9.934 2.674 1.00 0.00 C ATOM 1720 O LEU A 115 1.891 9.606 2.359 1.00 0.00 O ATOM 1721 CB LEU A 115 5.048 8.738 1.794 1.00 0.00 C ATOM 1722 CG LEU A 115 4.327 7.401 1.964 1.00 0.00 C ATOM 1723 CD1 LEU A 115 3.558 7.044 0.701 1.00 0.00 C ATOM 1724 CD2 LEU A 115 5.318 6.301 2.316 1.00 0.00 C ATOM 0 H LEU A 115 5.953 11.043 1.715 1.00 0.00 H new ATOM 0 HA LEU A 115 3.703 9.960 0.644 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.695 8.670 0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.695 8.892 2.658 1.00 0.00 H new ATOM 0 HG LEU A 115 3.615 7.497 2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.051 6.089 0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.820 7.819 0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.250 6.968 -0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.787 5.356 2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.055 6.206 1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.823 6.551 3.249 1.00 0.00 H new ATOM 1736 N HIS A 116 3.374 10.278 3.913 1.00 0.00 N ATOM 1737 CA HIS A 116 2.398 10.289 4.997 1.00 0.00 C ATOM 1738 C HIS A 116 1.368 11.396 4.790 1.00 0.00 C ATOM 1739 O HIS A 116 0.163 11.144 4.780 1.00 0.00 O ATOM 1740 CB HIS A 116 3.100 10.475 6.342 1.00 0.00 C ATOM 1741 CG HIS A 116 2.191 10.309 7.521 1.00 0.00 C ATOM 1742 ND1 HIS A 116 1.972 11.306 8.448 1.00 0.00 N ATOM 1743 CD2 HIS A 116 1.441 9.255 7.919 1.00 0.00 C ATOM 1744 CE1 HIS A 116 1.128 10.871 9.367 1.00 0.00 C ATOM 1745 NE2 HIS A 116 0.791 9.630 9.069 1.00 0.00 N ATOM 0 H HIS A 116 4.316 10.553 4.191 1.00 0.00 H new ATOM 0 HA HIS A 116 1.880 9.330 4.996 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.916 9.756 6.419 1.00 0.00 H new ATOM 0 HB3 HIS A 116 3.546 11.469 6.375 1.00 0.00 H new ATOM 0 HD1 HIS A 116 2.395 12.234 8.428 1.00 0.00 H new ATOM 0 HD2 HIS A 116 1.367 8.298 7.424 1.00 0.00 H new ATOM 0 HE1 HIS A 116 0.774 11.435 10.217 1.00 0.00 H new ATOM 1753 N LYS A 117 1.851 12.623 4.626 1.00 0.00 N ATOM 1754 CA LYS A 117 0.975 13.769 4.419 1.00 0.00 C ATOM 1755 C LYS A 117 -0.163 13.419 3.465 1.00 0.00 C ATOM 1756 O LYS A 117 -1.329 13.389 3.860 1.00 0.00 O ATOM 1757 CB LYS A 117 1.771 14.953 3.865 1.00 0.00 C ATOM 1758 CG LYS A 117 2.855 15.450 4.806 1.00 0.00 C ATOM 1759 CD LYS A 117 2.342 16.557 5.713 1.00 0.00 C ATOM 1760 CE LYS A 117 1.824 16.002 7.031 1.00 0.00 C ATOM 1761 NZ LYS A 117 0.728 16.840 7.592 1.00 0.00 N ATOM 0 H LYS A 117 2.846 12.849 4.633 1.00 0.00 H new ATOM 0 HA LYS A 117 0.547 14.045 5.383 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.228 14.662 2.919 1.00 0.00 H new ATOM 0 HB3 LYS A 117 1.085 15.772 3.649 1.00 0.00 H new ATOM 0 HG2 LYS A 117 3.220 14.621 5.413 1.00 0.00 H new ATOM 0 HG3 LYS A 117 3.702 15.817 4.226 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.143 17.270 5.907 1.00 0.00 H new ATOM 0 HD3 LYS A 117 1.545 17.102 5.208 1.00 0.00 H new ATOM 0 HE2 LYS A 117 1.463 14.985 6.880 1.00 0.00 H new ATOM 0 HE3 LYS A 117 2.643 15.946 7.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 0.402 16.429 8.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.079 17.804 7.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -0.064 16.873 6.918 1.00 0.00 H new ATOM 1775 N ILE A 118 0.183 13.153 2.210 1.00 0.00 N ATOM 1776 CA ILE A 118 -0.809 12.802 1.202 1.00 0.00 C ATOM 1777 C ILE A 118 -1.881 11.885 1.782 1.00 0.00 C ATOM 1778 O ILE A 118 -3.062 12.236 1.816 1.00 0.00 O ATOM 1779 CB ILE A 118 -0.160 12.110 -0.011 1.00 0.00 C ATOM 1780 CG1 ILE A 118 0.853 13.044 -0.676 1.00 0.00 C ATOM 1781 CG2 ILE A 118 -1.225 11.678 -1.007 1.00 0.00 C ATOM 1782 CD1 ILE A 118 1.920 12.316 -1.464 1.00 0.00 C ATOM 0 H ILE A 118 1.143 13.174 1.867 1.00 0.00 H new ATOM 0 HA ILE A 118 -1.269 13.734 0.875 1.00 0.00 H new ATOM 0 HB ILE A 118 0.367 11.221 0.335 1.00 0.00 H new ATOM 0 HG12 ILE A 118 0.324 13.726 -1.341 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.331 13.653 0.091 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -0.750 11.191 -1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -1.911 10.981 -0.526 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -1.778 12.552 -1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 118 2.603 13.041 -1.907 1.00 0.00 H new ATOM 0 HD12 ILE A 118 2.475 11.654 -0.799 1.00 0.00 H new ATOM 0 HD13 ILE A 118 1.452 11.728 -2.254 1.00 0.00 H new ATOM 1794 N LEU A 119 -1.463 10.710 2.239 1.00 0.00 N ATOM 1795 CA LEU A 119 -2.387 9.742 2.820 1.00 0.00 C ATOM 1796 C LEU A 119 -3.448 10.441 3.663 1.00 0.00 C ATOM 1797 O LEU A 119 -4.647 10.268 3.440 1.00 0.00 O ATOM 1798 CB LEU A 119 -1.624 8.730 3.676 1.00 0.00 C ATOM 1799 CG LEU A 119 -0.722 7.755 2.919 1.00 0.00 C ATOM 1800 CD1 LEU A 119 0.411 7.273 3.811 1.00 0.00 C ATOM 1801 CD2 LEU A 119 -1.531 6.576 2.397 1.00 0.00 C ATOM 0 H LEU A 119 -0.490 10.404 2.219 1.00 0.00 H new ATOM 0 HA LEU A 119 -2.885 9.217 2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -1.012 9.278 4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -2.347 8.152 4.251 1.00 0.00 H new ATOM 0 HG LEU A 119 -0.288 8.278 2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 119 1.042 6.580 3.255 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.007 8.126 4.135 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -0.003 6.767 4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -0.873 5.892 1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -1.994 6.053 3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -2.307 6.937 1.722 1.00 0.00 H new ATOM 1813 N LEU A 120 -3.000 11.233 4.632 1.00 0.00 N ATOM 1814 CA LEU A 120 -3.911 11.961 5.508 1.00 0.00 C ATOM 1815 C LEU A 120 -4.887 12.808 4.697 1.00 0.00 C ATOM 1816 O LEU A 120 -6.062 12.922 5.044 1.00 0.00 O ATOM 1817 CB LEU A 120 -3.123 12.851 6.470 1.00 0.00 C ATOM 1818 CG LEU A 120 -2.653 12.189 7.765 1.00 0.00 C ATOM 1819 CD1 LEU A 120 -3.839 11.639 8.543 1.00 0.00 C ATOM 1820 CD2 LEU A 120 -1.650 11.084 7.467 1.00 0.00 C ATOM 0 H LEU A 120 -2.011 11.387 4.830 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.482 11.232 6.083 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.249 13.235 5.944 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.743 13.710 6.729 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.160 12.943 8.378 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -3.486 11.171 9.462 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -4.522 12.452 8.789 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -4.360 10.899 7.936 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.327 10.624 8.401 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.117 10.330 6.834 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -0.787 11.505 6.952 1.00 0.00 H new ATOM 1832 N GLU A 121 -4.391 13.399 3.614 1.00 0.00 N ATOM 1833 CA GLU A 121 -5.219 14.234 2.753 1.00 0.00 C ATOM 1834 C GLU A 121 -6.243 13.390 1.998 1.00 0.00 C ATOM 1835 O GLU A 121 -7.432 13.707 1.977 1.00 0.00 O ATOM 1836 CB GLU A 121 -4.347 15.006 1.761 1.00 0.00 C ATOM 1837 CG GLU A 121 -3.362 15.953 2.425 1.00 0.00 C ATOM 1838 CD GLU A 121 -4.015 16.831 3.475 1.00 0.00 C ATOM 1839 OE1 GLU A 121 -5.205 17.172 3.306 1.00 0.00 O ATOM 1840 OE2 GLU A 121 -3.337 17.178 4.465 1.00 0.00 O ATOM 0 H GLU A 121 -3.420 13.315 3.313 1.00 0.00 H new ATOM 0 HA GLU A 121 -5.753 14.944 3.384 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -3.796 14.295 1.145 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -4.991 15.576 1.091 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -2.562 15.374 2.887 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -2.901 16.584 1.665 1.00 0.00 H new ATOM 1847 N LYS A 122 -5.771 12.314 1.377 1.00 0.00 N ATOM 1848 CA LYS A 122 -6.642 11.423 0.621 1.00 0.00 C ATOM 1849 C LYS A 122 -7.809 10.945 1.479 1.00 0.00 C ATOM 1850 O LYS A 122 -8.965 10.999 1.059 1.00 0.00 O ATOM 1851 CB LYS A 122 -5.850 10.220 0.103 1.00 0.00 C ATOM 1852 CG LYS A 122 -4.803 10.583 -0.936 1.00 0.00 C ATOM 1853 CD LYS A 122 -5.442 11.091 -2.218 1.00 0.00 C ATOM 1854 CE LYS A 122 -4.400 11.356 -3.293 1.00 0.00 C ATOM 1855 NZ LYS A 122 -3.766 12.694 -3.133 1.00 0.00 N ATOM 0 H LYS A 122 -4.789 12.038 1.383 1.00 0.00 H new ATOM 0 HA LYS A 122 -7.041 11.980 -0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -5.360 9.729 0.944 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.543 9.498 -0.329 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -4.138 11.347 -0.532 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -4.189 9.710 -1.156 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -6.163 10.359 -2.581 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -5.995 12.008 -2.012 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -3.632 10.583 -3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -4.867 11.291 -4.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -2.791 12.661 -3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -4.309 13.402 -3.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -3.755 12.955 -2.126 1.00 0.00 H new ATOM 1869 N LYS A 123 -7.499 10.479 2.684 1.00 0.00 N ATOM 1870 CA LYS A 123 -8.521 9.995 3.604 1.00 0.00 C ATOM 1871 C LYS A 123 -9.287 11.157 4.228 1.00 0.00 C ATOM 1872 O LYS A 123 -10.508 11.100 4.376 1.00 0.00 O ATOM 1873 CB LYS A 123 -7.885 9.141 4.703 1.00 0.00 C ATOM 1874 CG LYS A 123 -6.956 9.921 5.618 1.00 0.00 C ATOM 1875 CD LYS A 123 -6.097 8.994 6.462 1.00 0.00 C ATOM 1876 CE LYS A 123 -6.859 8.476 7.672 1.00 0.00 C ATOM 1877 NZ LYS A 123 -7.689 7.286 7.338 1.00 0.00 N ATOM 0 H LYS A 123 -6.547 10.426 3.046 1.00 0.00 H new ATOM 0 HA LYS A 123 -9.223 9.383 3.037 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -8.675 8.687 5.302 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -7.327 8.326 4.241 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -6.315 10.569 5.020 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -7.544 10.567 6.270 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -5.762 8.153 5.855 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -5.204 9.524 6.793 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -6.154 8.217 8.461 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -7.499 9.267 8.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -8.674 7.582 7.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -7.324 6.840 6.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -7.650 6.604 8.122 1.00 0.00 H new ATOM 1891 N ASP A 124 -8.563 12.210 4.591 1.00 0.00 N ATOM 1892 CA ASP A 124 -9.174 13.387 5.197 1.00 0.00 C ATOM 1893 C ASP A 124 -10.428 13.801 4.433 1.00 0.00 C ATOM 1894 O ASP A 124 -11.507 13.925 5.012 1.00 0.00 O ATOM 1895 CB ASP A 124 -8.177 14.546 5.231 1.00 0.00 C ATOM 1896 CG ASP A 124 -7.355 14.564 6.505 1.00 0.00 C ATOM 1897 OD1 ASP A 124 -7.173 13.486 7.110 1.00 0.00 O ATOM 1898 OD2 ASP A 124 -6.893 15.656 6.897 1.00 0.00 O ATOM 0 H ASP A 124 -7.551 12.272 4.476 1.00 0.00 H new ATOM 0 HA ASP A 124 -9.458 13.133 6.218 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -7.510 14.473 4.372 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -8.716 15.489 5.136 1.00 0.00 H new ATOM 1903 N ALA A 125 -10.278 14.015 3.130 1.00 0.00 N ATOM 1904 CA ALA A 125 -11.398 14.414 2.287 1.00 0.00 C ATOM 1905 C ALA A 125 -12.314 13.231 1.994 1.00 0.00 C ATOM 1906 O ALA A 125 -11.866 12.191 1.512 1.00 0.00 O ATOM 1907 CB ALA A 125 -10.890 15.025 0.989 1.00 0.00 C ATOM 0 H ALA A 125 -9.391 13.919 2.635 1.00 0.00 H new ATOM 0 HA ALA A 125 -11.978 15.163 2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -11.737 15.318 0.369 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -10.283 15.902 1.213 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -10.285 14.292 0.454 1.00 0.00 H new